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-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-78cebcea/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -41.730953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.730953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.730953 (E_RNA) where: Base-Base interactions energy: -17.937 where: short stacking energy: -17.937 Base-Backbone interact. energy: -0.048 local terms energy: -23.746308 where: bonds (distance) C4'-P energy: -3.958 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -34.670110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.670110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.670110 (E_RNA) where: Base-Base interactions energy: -13.812 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.097 local terms energy: -20.761119 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -31.338127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.338127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.338127 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.121 local terms energy: -21.941061 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -36.165857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.165857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.165857 (E_RNA) where: Base-Base interactions energy: -12.919 where: short stacking energy: -12.919 Base-Backbone interact. energy: 1.613 local terms energy: -24.859913 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -29.423785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.423785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.423785 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.120 local terms energy: -21.240091 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -32.183029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.183029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.183029 (E_RNA) where: Base-Base interactions energy: -11.398 where: short stacking energy: -11.398 Base-Backbone interact. energy: -0.002 local terms energy: -20.783135 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -29.138441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.138441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.138441 (E_RNA) where: Base-Base interactions energy: -10.318 where: short stacking energy: -10.318 Base-Backbone interact. energy: -0.027 local terms energy: -18.793936 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -26.756932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.756932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.756932 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: 1.362 local terms energy: -19.696433 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -36.240026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.240026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.240026 (E_RNA) where: Base-Base interactions energy: -14.113 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.071 local terms energy: -22.055551 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -27.186347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.186347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.186347 (E_RNA) where: Base-Base interactions energy: -2.880 where: short stacking energy: -2.880 Base-Backbone interact. energy: -0.001 local terms energy: -24.305855 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -40.598688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598688 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -14.739 Base-Backbone interact. energy: -0.014 local terms energy: -25.846150 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -38.405956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.405956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.405956 (E_RNA) where: Base-Base interactions energy: -13.539 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.000 local terms energy: -24.866673 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -38.480588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.480588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.480588 (E_RNA) where: Base-Base interactions energy: -12.975 where: short stacking energy: -12.975 Base-Backbone interact. energy: -0.032 local terms energy: -25.473714 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -35.043847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.043847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.043847 (E_RNA) where: Base-Base interactions energy: -9.103 where: short stacking energy: -9.103 Base-Backbone interact. energy: -0.022 local terms energy: -25.918426 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -33.763065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.763065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.763065 (E_RNA) where: Base-Base interactions energy: -12.314 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.076 local terms energy: -21.373562 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: 0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -34.870587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870587 (E_RNA) where: Base-Base interactions energy: -8.514 where: short stacking energy: -8.514 Base-Backbone interact. energy: -0.000 local terms energy: -26.356373 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -34.732264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.732264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.732264 (E_RNA) where: Base-Base interactions energy: -13.579 where: short stacking energy: -13.579 Base-Backbone interact. energy: -0.043 local terms energy: -21.110179 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -40.028605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.028605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.028605 (E_RNA) where: Base-Base interactions energy: -14.210 where: short stacking energy: -14.210 Base-Backbone interact. energy: -0.000 local terms energy: -25.818669 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -44.651719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.651719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.651719 (E_RNA) where: Base-Base interactions energy: -17.901 where: short stacking energy: -17.901 Base-Backbone interact. energy: -0.000 local terms energy: -26.750393 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -36.524830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.524830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.524830 (E_RNA) where: Base-Base interactions energy: -15.010 where: short stacking energy: -15.010 Base-Backbone interact. energy: -0.001 local terms energy: -21.513728 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -42.269547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.269547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.269547 (E_RNA) where: Base-Base interactions energy: -18.074 where: short stacking energy: -18.074 Base-Backbone interact. energy: -0.000 local terms energy: -24.195595 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -1.581 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -35.825367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.825367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.825367 (E_RNA) where: Base-Base interactions energy: -13.009 where: short stacking energy: -13.009 Base-Backbone interact. energy: -0.019 local terms energy: -22.797874 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.163 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -32.503350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.503350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.503350 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.056 local terms energy: -22.514479 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -4.467 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: 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -40.582580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582580 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.000 local terms energy: -26.721819 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -41.697248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.697248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.697248 (E_RNA) where: Base-Base interactions energy: -13.999 where: short stacking energy: -13.999 Base-Backbone interact. energy: -0.000 local terms energy: -27.698665 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -7.202 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -35.924789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.924789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.924789 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.738 local terms energy: -21.979505 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -35.565499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.565499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.565499 (E_RNA) where: Base-Base interactions energy: -12.399 where: short stacking energy: -12.399 Base-Backbone interact. energy: -0.000 local terms energy: -23.166672 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -2.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 7 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -40.970566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.970566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.970566 (E_RNA) where: Base-Base interactions energy: -18.589 where: short stacking energy: -18.589 Base-Backbone interact. energy: -0.000 local terms energy: -22.381134 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -36.788796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.788796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.788796 (E_RNA) where: Base-Base interactions energy: -13.893 where: short stacking energy: -13.893 Base-Backbone interact. energy: -0.049 local terms energy: -22.847297 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -33.992240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.992240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.992240 (E_RNA) where: Base-Base interactions energy: -11.755 where: short stacking energy: -11.755 Base-Backbone interact. energy: -0.020 local terms energy: -22.217019 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -4.840 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -34.579414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.579414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.579414 (E_RNA) where: Base-Base interactions energy: -12.251 where: short stacking energy: -12.251 Base-Backbone interact. energy: -0.119 local terms energy: -22.209619 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -2.583 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -35.922547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.922547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.922547 (E_RNA) where: Base-Base interactions energy: -12.541 where: short stacking energy: -12.541 Base-Backbone interact. energy: -0.016 local terms energy: -23.365627 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 7 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -42.633186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.633186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.633186 (E_RNA) where: Base-Base interactions energy: -16.683 where: short stacking energy: -16.683 Base-Backbone interact. energy: -0.000 local terms energy: -25.950442 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -37.027042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.027042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.027042 (E_RNA) where: Base-Base interactions energy: -12.935 where: short stacking energy: -12.935 Base-Backbone interact. energy: -0.025 local terms energy: -24.067482 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -3.328 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: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -36.660377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.660377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.660377 (E_RNA) where: Base-Base interactions energy: -13.518 where: short stacking energy: -13.518 Base-Backbone interact. energy: -0.006 local terms energy: -23.136496 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -32.857794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.857794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.857794 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: 0.867 local terms energy: -21.470298 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -34.300862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.300862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.300862 (E_RNA) where: Base-Base interactions energy: -14.298 where: short stacking energy: -14.298 Base-Backbone interact. energy: -0.002 local terms energy: -20.000817 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.763 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: 8, replica: 2 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -29.546715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.546715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.546715 (E_RNA) where: Base-Base interactions energy: -9.389 where: short stacking energy: -9.389 Base-Backbone interact. energy: -0.010 local terms energy: -20.147916 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: 0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -39.061348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.061348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.061348 (E_RNA) where: Base-Base interactions energy: -13.206 where: short stacking energy: -13.206 Base-Backbone interact. energy: -0.000 local terms energy: -25.855265 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -40.139671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.139671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.139671 (E_RNA) where: Base-Base interactions energy: -15.137 where: short stacking energy: -15.137 Base-Backbone interact. energy: -0.000 local terms energy: -25.002018 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -41.102243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.102243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.102243 (E_RNA) where: Base-Base interactions energy: -15.157 where: short stacking energy: -15.157 Base-Backbone interact. energy: -0.000 local terms energy: -25.945443 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -3.360 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: 3, replica: 9 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -36.108800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.108800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.108800 (E_RNA) where: Base-Base interactions energy: -13.590 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.001 local terms energy: -22.517441 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -36.749970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.749970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.749970 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: -0.972 local terms energy: -21.589282 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -3.808 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 2 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -32.734919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.734919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.734919 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.038 local terms energy: -21.884294 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.530 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: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -30.084754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.084754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.084754 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: -0.024 local terms energy: -21.472304 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -28.701251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.701251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.701251 (E_RNA) where: Base-Base interactions energy: -10.062 where: short stacking energy: -10.062 Base-Backbone interact. energy: -0.080 local terms energy: -18.558989 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -2.569 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -34.250732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.250732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.250732 (E_RNA) where: Base-Base interactions energy: -16.245 where: short stacking energy: -16.245 Base-Backbone interact. energy: -0.000 local terms energy: -18.005248 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -0.573 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: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -33.665564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.665564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.665564 (E_RNA) where: Base-Base interactions energy: -12.815 where: short stacking energy: -12.815 Base-Backbone interact. energy: -0.102 local terms energy: -20.748891 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -39.389414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.389414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.389414 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.023 local terms energy: -25.627133 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -4.766 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: 7 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -39.558407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558407 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.000 local terms energy: -25.697983 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -2.240 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -33.324310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.324310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.324310 (E_RNA) where: Base-Base interactions energy: -10.640 where: short stacking energy: -10.640 Base-Backbone interact. energy: -0.072 local terms energy: -22.612357 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -28.918172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.918172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.918172 (E_RNA) where: Base-Base interactions energy: -8.313 where: short stacking energy: -8.313 Base-Backbone interact. energy: -0.000 local terms energy: -20.604698 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -32.548391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.548391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.548391 (E_RNA) where: Base-Base interactions energy: -12.961 where: short stacking energy: -12.961 Base-Backbone interact. energy: -0.074 local terms energy: -19.513671 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -25.983243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.983243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.983243 (E_RNA) where: Base-Base interactions energy: -9.665 where: short stacking energy: -9.665 Base-Backbone interact. energy: -0.080 local terms energy: -16.238540 where: bonds (distance) C4'-P energy: -1.316 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.158 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: 1, replica: 9 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -42.542955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.542955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.542955 (E_RNA) where: Base-Base interactions energy: -18.238 where: short stacking energy: -18.238 Base-Backbone interact. energy: -0.054 local terms energy: -24.250767 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -36.705550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.705550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.705550 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.026 local terms energy: -23.048048 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -4.269 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -4.452 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: 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: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -39.156815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.156815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.156815 (E_RNA) where: Base-Base interactions energy: -13.048 where: short stacking energy: -13.048 Base-Backbone interact. energy: -0.000 local terms energy: -26.108682 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -36.656435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.656435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.656435 (E_RNA) where: Base-Base interactions energy: -14.220 where: short stacking energy: -14.220 Base-Backbone interact. energy: -0.021 local terms energy: -22.415980 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -2.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -34.486485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.486485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.486485 (E_RNA) where: Base-Base interactions energy: -11.851 where: short stacking energy: -11.851 Base-Backbone interact. energy: -0.000 local terms energy: -22.635015 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -1.163 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: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -34.560284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.560284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.560284 (E_RNA) where: Base-Base interactions energy: -14.480 where: short stacking energy: -14.480 Base-Backbone interact. energy: -0.000 local terms energy: -20.080390 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -1.704 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: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -32.465697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.465697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.465697 (E_RNA) where: Base-Base interactions energy: -8.548 where: short stacking energy: -8.548 Base-Backbone interact. energy: -0.015 local terms energy: -23.902077 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -29.711127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.711127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.711127 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.000 local terms energy: -17.182304 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -2.585 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.566 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: 10, replica: 5 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -31.414292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.414292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.414292 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: -0.156 local terms energy: -17.666918 where: bonds (distance) C4'-P energy: -4.396 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -1.057 tors. eta vs tors. theta energy: -0.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -37.333000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.333000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.333000 (E_RNA) where: Base-Base interactions energy: -13.604 where: short stacking energy: -13.604 Base-Backbone interact. energy: -0.104 local terms energy: -23.624385 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -5.121 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: 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: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -40.254803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.254803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.254803 (E_RNA) where: Base-Base interactions energy: -14.737 where: short stacking energy: -14.737 Base-Backbone interact. energy: -0.019 local terms energy: -25.498546 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -39.363422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.363422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.363422 (E_RNA) where: Base-Base interactions energy: -16.074 where: short stacking energy: -16.074 Base-Backbone interact. energy: -0.000 local terms energy: -23.288946 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -36.220764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.220764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.220764 (E_RNA) where: Base-Base interactions energy: -14.957 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.000 local terms energy: -21.263438 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.064 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -32.019624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.019624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.019624 (E_RNA) where: Base-Base interactions energy: -12.189 where: short stacking energy: -12.189 Base-Backbone interact. energy: -0.075 local terms energy: -19.756219 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.391 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -30.248290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.248290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.248290 (E_RNA) where: Base-Base interactions energy: -9.064 where: short stacking energy: -9.064 Base-Backbone interact. energy: -0.000 local terms energy: -21.184506 where: bonds (distance) C4'-P energy: -4.070 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -35.975695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.975695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.975695 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.004 local terms energy: -22.840835 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -31.776188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.776188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.776188 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.000 local terms energy: -22.216623 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -30.333511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.333511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.333511 (E_RNA) where: Base-Base interactions energy: -13.990 where: short stacking energy: -13.990 Base-Backbone interact. energy: -0.000 local terms energy: -16.343750 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -3.098 flat angles C4'-P-C4' energy: -3.161 flat angles P-C4'-P energy: -2.640 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: 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: 9 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -40.780063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.780063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.780063 (E_RNA) where: Base-Base interactions energy: -14.049 where: short stacking energy: -14.049 Base-Backbone interact. energy: -0.005 local terms energy: -26.725931 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -5.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -40.827115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.827115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.827115 (E_RNA) where: Base-Base interactions energy: -17.961 where: short stacking energy: -17.034 Base-Backbone interact. energy: -0.130 local terms energy: -22.736138 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -3.798 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.128 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: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -35.195881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.195881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.195881 (E_RNA) where: Base-Base interactions energy: -11.588 where: short stacking energy: -11.588 Base-Backbone interact. energy: -0.003 local terms energy: -23.604824 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.289 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.960 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: 14 Temperature: 1.100000 Total energy: -32.770895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.770895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.770895 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -12.458 Base-Backbone interact. energy: -0.097 local terms energy: -20.215085 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -4.015 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: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -37.367348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.367348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.367348 (E_RNA) where: Base-Base interactions energy: -12.102 where: short stacking energy: -12.102 Base-Backbone interact. energy: -0.001 local terms energy: -25.265069 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -4.870 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: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -28.351609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.351609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.351609 (E_RNA) where: Base-Base interactions energy: -9.091 where: short stacking energy: -9.091 Base-Backbone interact. energy: -0.000 local terms energy: -19.260770 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.927 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -0.343 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: 8, replica: 1 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -33.831878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.831878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.831878 (E_RNA) where: Base-Base interactions energy: -13.690 where: short stacking energy: -13.690 Base-Backbone interact. energy: -0.054 local terms energy: -20.088207 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -3.278 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -32.997453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.997453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.997453 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -13.863 Base-Backbone interact. energy: -0.002 local terms energy: -18.077253 where: bonds (distance) C4'-P energy: -2.140 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -26.741960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.741960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.741960 (E_RNA) where: Base-Base interactions energy: -7.245 where: short stacking energy: -7.245 Base-Backbone interact. energy: -0.049 local terms energy: -19.447996 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -4.283 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: 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -40.385724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.385724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.385724 (E_RNA) where: Base-Base interactions energy: -13.924 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.000 local terms energy: -26.461223 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.985 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: 3, replica: 9 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -35.182030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.182030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.182030 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.113 local terms energy: -24.175459 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -2.610 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: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -35.458982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.458982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.458982 (E_RNA) where: Base-Base interactions energy: -12.726 where: short stacking energy: -12.726 Base-Backbone interact. energy: -0.000 local terms energy: -22.732399 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -38.224982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.224982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.224982 (E_RNA) where: Base-Base interactions energy: -13.488 where: short stacking energy: -13.488 Base-Backbone interact. energy: -0.000 local terms energy: -24.736699 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -2.447 tors. eta vs tors. theta energy: -4.972 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: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -33.342402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.342402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.342402 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -8.193 Base-Backbone interact. energy: -0.000 local terms energy: -25.148870 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -4.975 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: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -31.636237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.636237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.636237 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.087 local terms energy: -21.382889 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -33.375411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.375411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.375411 (E_RNA) where: Base-Base interactions energy: -9.591 where: short stacking energy: -9.591 Base-Backbone interact. energy: -0.017 local terms energy: -23.767616 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -31.692437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.692437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.692437 (E_RNA) where: Base-Base interactions energy: -10.762 where: short stacking energy: -10.762 Base-Backbone interact. energy: -0.008 local terms energy: -20.922630 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: -3.871 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: 10, replica: 4 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -30.671602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.671602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.671602 (E_RNA) where: Base-Base interactions energy: -12.127 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.079 local terms energy: -18.464980 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -41.303790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.303790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.303790 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.001 local terms energy: -23.694158 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 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: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -36.182351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.182351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.182351 (E_RNA) where: Base-Base interactions energy: -13.560 where: short stacking energy: -13.560 Base-Backbone interact. energy: -0.001 local terms energy: -22.621384 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -35.381241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.381241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.381241 (E_RNA) where: Base-Base interactions energy: -13.911 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.015 local terms energy: -21.455235 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -36.883504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.883504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.883504 (E_RNA) where: Base-Base interactions energy: -12.675 where: short stacking energy: -12.675 Base-Backbone interact. energy: -0.022 local terms energy: -24.185841 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.828 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: 6, replica: 10 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -31.987869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.987869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.987869 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.833 Base-Backbone interact. energy: -0.100 local terms energy: -22.774570 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.689 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: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -30.576020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.576020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.576020 (E_RNA) where: Base-Base interactions energy: -9.691 where: short stacking energy: -9.691 Base-Backbone interact. energy: -0.003 local terms energy: -20.882005 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -2.933 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: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -31.573747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573747 (E_RNA) where: Base-Base interactions energy: -9.029 where: short stacking energy: -9.029 Base-Backbone interact. energy: -0.023 local terms energy: -22.521533 where: bonds (distance) C4'-P energy: -4.698 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.436 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: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -27.147511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.147511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.147511 (E_RNA) where: Base-Base interactions energy: -7.888 where: short stacking energy: -7.888 Base-Backbone interact. energy: -0.295 local terms energy: -18.964316 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -4.147 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: 0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -30.359650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.359650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.359650 (E_RNA) where: Base-Base interactions energy: -9.428 where: short stacking energy: -9.428 Base-Backbone interact. energy: -0.010 local terms energy: -20.922246 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -41.734347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.734347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.734347 (E_RNA) where: Base-Base interactions energy: -16.459 where: short stacking energy: -16.459 Base-Backbone interact. energy: -0.001 local terms energy: -25.274237 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -42.130629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.130629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.130629 (E_RNA) where: Base-Base interactions energy: -17.362 where: short stacking energy: -17.362 Base-Backbone interact. energy: -0.043 local terms energy: -24.725487 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.869 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: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -32.275438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275438 (E_RNA) where: Base-Base interactions energy: -8.473 where: short stacking energy: -8.473 Base-Backbone interact. energy: -0.053 local terms energy: -23.749276 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -39.132685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.132685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.132685 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -14.416 Base-Backbone interact. energy: -0.001 local terms energy: -24.715778 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -39.272090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.272090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.272090 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.000 local terms energy: -25.030007 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.332 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: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -31.086281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.086281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.086281 (E_RNA) where: Base-Base interactions energy: -8.542 where: short stacking energy: -7.183 Base-Backbone interact. energy: -0.027 local terms energy: -22.516932 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -36.832619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.832619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.832619 (E_RNA) where: Base-Base interactions energy: -12.240 where: short stacking energy: -12.240 Base-Backbone interact. energy: -0.094 local terms energy: -24.499004 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -3.873 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: 8, replica: 4 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -29.536371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.536371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.536371 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.000 local terms energy: -19.262881 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -0.560 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -32.525730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.525730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.525730 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.001 local terms energy: -22.172519 where: bonds (distance) C4'-P energy: -2.571 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -26.171820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.171820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.171820 (E_RNA) where: Base-Base interactions energy: -13.785 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.003 local terms energy: -12.383700 where: bonds (distance) C4'-P energy: -2.218 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -1.545 tors. eta vs tors. theta energy: 0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -38.710224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.710224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.710224 (E_RNA) where: Base-Base interactions energy: -14.708 where: short stacking energy: -14.708 Base-Backbone interact. energy: -0.000 local terms energy: -24.002546 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -37.601699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.601699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.601699 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.076 local terms energy: -22.129531 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -2.872 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: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -32.723940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.723940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.723940 (E_RNA) where: Base-Base interactions energy: -9.480 where: short stacking energy: -9.480 Base-Backbone interact. energy: -0.004 local terms energy: -23.239848 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -3.772 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: 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -35.751337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.751337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.751337 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.001 local terms energy: -22.502972 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.133 flat angles P-C4'-P energy: -4.825 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: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -38.973424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.973424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.973424 (E_RNA) where: Base-Base interactions energy: -12.865 where: short stacking energy: -13.956 Base-Backbone interact. energy: -0.505 local terms energy: -25.602826 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -4.036 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: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -32.099533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.099533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.099533 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.001 local terms energy: -22.717462 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -4.294 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: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -33.325894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.325894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.325894 (E_RNA) where: Base-Base interactions energy: -11.813 where: short stacking energy: -11.813 Base-Backbone interact. energy: -0.037 local terms energy: -21.476567 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -30.955220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.955220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.955220 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.044 local terms energy: -20.726054 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -33.240317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.240317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.240317 (E_RNA) where: Base-Base interactions energy: -12.928 where: short stacking energy: -12.928 Base-Backbone interact. energy: -0.000 local terms energy: -20.311999 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -39.525046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.525046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.525046 (E_RNA) where: Base-Base interactions energy: -13.113 where: short stacking energy: -13.113 Base-Backbone interact. energy: -0.004 local terms energy: -26.407524 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -3.516 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: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -40.082078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.082078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.082078 (E_RNA) where: Base-Base interactions energy: -15.465 where: short stacking energy: -15.465 Base-Backbone interact. energy: -0.005 local terms energy: -24.612254 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -34.738833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.738833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.738833 (E_RNA) where: Base-Base interactions energy: -13.241 where: short stacking energy: -13.241 Base-Backbone interact. energy: -0.001 local terms energy: -21.496657 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -35.308065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.308065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.308065 (E_RNA) where: Base-Base interactions energy: -11.185 where: short stacking energy: -11.185 Base-Backbone interact. energy: -0.032 local terms energy: -24.090897 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -4.566 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: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -38.670701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.670701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.670701 (E_RNA) where: Base-Base interactions energy: -14.015 where: short stacking energy: -14.015 Base-Backbone interact. energy: -0.000 local terms energy: -24.655776 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -31.117272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.117272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.117272 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.008 local terms energy: -23.137545 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -29.773555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.773555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.773555 (E_RNA) where: Base-Base interactions energy: -13.776 where: short stacking energy: -13.776 Base-Backbone interact. energy: -0.002 local terms energy: -15.995789 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -4.038 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -2.061 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: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -31.639404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.639404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.639404 (E_RNA) where: Base-Base interactions energy: -9.640 where: short stacking energy: -9.640 Base-Backbone interact. energy: -0.002 local terms energy: -21.997534 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -29.134312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.134312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.134312 (E_RNA) where: Base-Base interactions energy: -9.724 where: short stacking energy: -9.724 Base-Backbone interact. energy: -0.008 local terms energy: -19.402882 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: 0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -31.074171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.074171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.074171 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -9.798 Base-Backbone interact. energy: -0.000 local terms energy: -21.276388 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -2.917 flat angles P-C4'-P energy: -3.488 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: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -45.203783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.203783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.203783 (E_RNA) where: Base-Base interactions energy: -17.133 where: short stacking energy: -17.133 Base-Backbone interact. energy: -0.000 local terms energy: -28.070540 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -40.308733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.308733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.308733 (E_RNA) where: Base-Base interactions energy: -13.441 where: short stacking energy: -13.441 Base-Backbone interact. energy: -0.000 local terms energy: -26.867392 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -5.315 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: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -38.519072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.519072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.519072 (E_RNA) where: Base-Base interactions energy: -12.656 where: short stacking energy: -12.656 Base-Backbone interact. energy: -0.000 local terms energy: -25.863141 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -37.850382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.850382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.850382 (E_RNA) where: Base-Base interactions energy: -15.023 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.006 local terms energy: -22.821225 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -3.653 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: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -28.437237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.437237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.437237 (E_RNA) where: Base-Base interactions energy: -6.177 where: short stacking energy: -6.177 Base-Backbone interact. energy: -0.115 local terms energy: -22.145540 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -0.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -33.807299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.807299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.807299 (E_RNA) where: Base-Base interactions energy: -12.046 where: short stacking energy: -12.046 Base-Backbone interact. energy: -0.022 local terms energy: -21.738995 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -33.101043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.101043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.101043 (E_RNA) where: Base-Base interactions energy: -9.550 where: short stacking energy: -9.550 Base-Backbone interact. energy: -0.021 local terms energy: -23.529941 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -5.356 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: 8, replica: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -30.481555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.481555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.481555 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.099 local terms energy: -22.299935 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -5.315 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: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -29.300674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.300674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.300674 (E_RNA) where: Base-Base interactions energy: -8.604 where: short stacking energy: -8.604 Base-Backbone interact. energy: -0.034 local terms energy: -20.661995 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.535 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: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -28.768865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.768865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.768865 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.004 local terms energy: -20.387227 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -1.856 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -39.903293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.903293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.903293 (E_RNA) where: Base-Base interactions energy: -16.742 where: short stacking energy: -16.742 Base-Backbone interact. energy: -0.000 local terms energy: -23.161639 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -41.213488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.213488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.213488 (E_RNA) where: Base-Base interactions energy: -14.484 where: short stacking energy: -14.484 Base-Backbone interact. energy: -0.000 local terms energy: -26.729600 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -6.270 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: 21 Temperature: 1.000000 Total energy: -40.708428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.708428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.708428 (E_RNA) where: Base-Base interactions energy: -13.175 where: short stacking energy: -13.175 Base-Backbone interact. energy: -0.000 local terms energy: -27.533823 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -35.507327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.507327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.507327 (E_RNA) where: Base-Base interactions energy: -10.194 where: short stacking energy: -10.194 Base-Backbone interact. energy: -0.124 local terms energy: -25.189121 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -33.918926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.918926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.918926 (E_RNA) where: Base-Base interactions energy: -9.497 where: short stacking energy: -9.497 Base-Backbone interact. energy: -0.000 local terms energy: -24.422080 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -31.057067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.057067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.057067 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.078 local terms energy: -20.097914 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -29.405795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.405795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.405795 (E_RNA) where: Base-Base interactions energy: -9.345 where: short stacking energy: -9.345 Base-Backbone interact. energy: -0.087 local terms energy: -19.973206 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -5.137 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -5.003 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: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -28.451762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.451762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.451762 (E_RNA) where: Base-Base interactions energy: -8.427 where: short stacking energy: -8.427 Base-Backbone interact. energy: -0.013 local terms energy: -20.011838 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.288 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: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -27.743777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.743777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.743777 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -9.619 Base-Backbone interact. energy: -0.084 local terms energy: -18.041062 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: 0.158 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -35.846521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.846521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.846521 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.091 local terms energy: -23.039134 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -42.870889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.870889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.870889 (E_RNA) where: Base-Base interactions energy: -17.417 where: short stacking energy: -17.417 Base-Backbone interact. energy: -0.000 local terms energy: -25.453401 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.242 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: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -41.772981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.772981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.772981 (E_RNA) where: Base-Base interactions energy: -16.824 where: short stacking energy: -16.824 Base-Backbone interact. energy: -0.000 local terms energy: -24.948355 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -4.598 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: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -39.210268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.210268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.210268 (E_RNA) where: Base-Base interactions energy: -13.831 where: short stacking energy: -13.831 Base-Backbone interact. energy: -0.000 local terms energy: -25.379751 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -35.253335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.253335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.253335 (E_RNA) where: Base-Base interactions energy: -13.179 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.029 local terms energy: -22.045648 where: bonds (distance) C4'-P energy: -3.395 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -36.525576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.525576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.525576 (E_RNA) where: Base-Base interactions energy: -11.485 where: short stacking energy: -11.485 Base-Backbone interact. energy: -0.000 local terms energy: -25.040307 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -5.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -35.112202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.112202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.112202 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.000 local terms energy: -22.222276 where: bonds (distance) C4'-P energy: -3.067 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -29.490499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.490499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.490499 (E_RNA) where: Base-Base interactions energy: -9.041 where: short stacking energy: -9.341 Base-Backbone interact. energy: -0.019 local terms energy: -20.431159 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -29.113494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.113494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.113494 (E_RNA) where: Base-Base interactions energy: -10.322 where: short stacking energy: -10.322 Base-Backbone interact. energy: -0.000 local terms energy: -18.791396 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -0.502 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -30.283716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.283716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.283716 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.003 local terms energy: -21.147861 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -32.822393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.822393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.822393 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.623 Base-Backbone interact. energy: -0.014 local terms energy: -21.185533 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -4.060 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: 1, replica: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -36.689408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.689408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.689408 (E_RNA) where: Base-Base interactions energy: -15.080 where: short stacking energy: -15.080 Base-Backbone interact. energy: -0.097 local terms energy: -21.512790 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -2.690 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: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -41.816249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.816249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.816249 (E_RNA) where: Base-Base interactions energy: -15.554 where: short stacking energy: -15.554 Base-Backbone interact. energy: -0.000 local terms energy: -26.261929 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -40.396819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.396819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.396819 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.042 local terms energy: -27.704679 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -5.222 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: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -34.873572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873572 (E_RNA) where: Base-Base interactions energy: -10.642 where: short stacking energy: -10.642 Base-Backbone interact. energy: -0.013 local terms energy: -24.218380 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.768 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: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -30.587301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.587301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.587301 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.001 local terms energy: -22.572238 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -3.705 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -5.734 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: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -30.011189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.011189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.011189 (E_RNA) where: Base-Base interactions energy: -11.433 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.015 local terms energy: -18.562623 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -1.789 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -29.151433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.151433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.151433 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.000 local terms energy: -21.742358 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -39.837341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.837341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.837341 (E_RNA) where: Base-Base interactions energy: -13.741 where: short stacking energy: -13.741 Base-Backbone interact. energy: -0.000 local terms energy: -26.096263 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -3.221 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: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -28.018877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.018877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.018877 (E_RNA) where: Base-Base interactions energy: -4.081 where: short stacking energy: -4.081 Base-Backbone interact. energy: -0.000 local terms energy: -23.938192 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -2.710 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: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -27.870090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.870090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.870090 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.004 local terms energy: -19.664870 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: 0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -38.158902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.158902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.158902 (E_RNA) where: Base-Base interactions energy: -14.019 where: short stacking energy: -14.019 Base-Backbone interact. energy: -0.029 local terms energy: -24.111022 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -2.588 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: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -39.750548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.750548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.750548 (E_RNA) where: Base-Base interactions energy: -14.652 where: short stacking energy: -14.652 Base-Backbone interact. energy: -0.003 local terms energy: -25.095154 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -4.717 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: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -39.281183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.281183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.281183 (E_RNA) where: Base-Base interactions energy: -16.116 where: short stacking energy: -16.116 Base-Backbone interact. energy: -0.000 local terms energy: -23.165550 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -34.317112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.317112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.317112 (E_RNA) where: Base-Base interactions energy: -12.149 where: short stacking energy: -12.149 Base-Backbone interact. energy: -0.000 local terms energy: -22.167773 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -4.648 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: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -34.630885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.630885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.630885 (E_RNA) where: Base-Base interactions energy: -15.417 where: short stacking energy: -15.417 Base-Backbone interact. energy: -0.000 local terms energy: -19.214267 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -2.346 flat angles P-C4'-P energy: -2.582 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: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -36.643084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.643084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.643084 (E_RNA) where: Base-Base interactions energy: -16.018 where: short stacking energy: -16.018 Base-Backbone interact. energy: -0.000 local terms energy: -20.624267 where: bonds (distance) C4'-P energy: -2.678 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -31.804425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.804425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.804425 (E_RNA) where: Base-Base interactions energy: -12.326 where: short stacking energy: -12.326 Base-Backbone interact. energy: -0.012 local terms energy: -19.466713 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -33.697260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.697260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.697260 (E_RNA) where: Base-Base interactions energy: -13.048 where: short stacking energy: -13.048 Base-Backbone interact. energy: -0.100 local terms energy: -20.549310 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -2.134 flat angles P-C4'-P energy: -4.587 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: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -27.104078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.104078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.104078 (E_RNA) where: Base-Base interactions energy: -6.563 where: short stacking energy: -6.563 Base-Backbone interact. energy: -0.057 local terms energy: -20.484065 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: 1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -31.596541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.596541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.596541 (E_RNA) where: Base-Base interactions energy: -10.870 where: short stacking energy: -10.870 Base-Backbone interact. energy: -0.000 local terms energy: -20.726642 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -4.272 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -38.091962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.091962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.091962 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.003 local terms energy: -23.973123 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -3.452 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: 2, replica: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -39.643748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.643748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.643748 (E_RNA) where: Base-Base interactions energy: -17.300 where: short stacking energy: -17.300 Base-Backbone interact. energy: -0.002 local terms energy: -22.342205 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -36.738389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.738389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.738389 (E_RNA) where: Base-Base interactions energy: -13.427 where: short stacking energy: -13.427 Base-Backbone interact. energy: -0.050 local terms energy: -23.261421 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.087 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: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -34.973909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.973909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.973909 (E_RNA) where: Base-Base interactions energy: -14.707 where: short stacking energy: -9.114 Base-Backbone interact. energy: -0.086 local terms energy: -20.180757 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -1.815 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: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -37.909939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.909939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.909939 (E_RNA) where: Base-Base interactions energy: -14.403 where: short stacking energy: -14.403 Base-Backbone interact. energy: -0.000 local terms energy: -23.506252 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -4.964 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: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -31.920595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.920595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.920595 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -9.856 Base-Backbone interact. energy: -0.000 local terms energy: -22.064062 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -4.539 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: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -32.318577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318577 (E_RNA) where: Base-Base interactions energy: -10.575 where: short stacking energy: -10.575 Base-Backbone interact. energy: 1.451 local terms energy: -23.194737 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -31.829361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.829361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.829361 (E_RNA) where: Base-Base interactions energy: -9.119 where: short stacking energy: -9.119 Base-Backbone interact. energy: -0.043 local terms energy: -22.668049 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -4.416 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: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -32.971576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.971576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.971576 (E_RNA) where: Base-Base interactions energy: -9.027 where: short stacking energy: -9.027 Base-Backbone interact. energy: -0.025 local terms energy: -23.919360 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -34.933038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.933038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.933038 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.000 local terms energy: -23.244262 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -40.401474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.401474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.401474 (E_RNA) where: Base-Base interactions energy: -12.928 where: short stacking energy: -12.928 Base-Backbone interact. energy: -0.007 local terms energy: -27.466494 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -37.616975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.616975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.616975 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.000 local terms energy: -23.876575 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -33.889963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.889963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.889963 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -12.167 Base-Backbone interact. energy: -0.022 local terms energy: -21.701302 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -35.058641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.058641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.058641 (E_RNA) where: Base-Base interactions energy: -15.233 where: short stacking energy: -15.233 Base-Backbone interact. energy: -0.000 local terms energy: -19.825293 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.436 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: 5, replica: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -35.949374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.949374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.949374 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.000 local terms energy: -22.955684 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -2.414 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -32.480046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.480046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.480046 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.113 local terms energy: -22.806902 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -3.212 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: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -31.487379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.487379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.487379 (E_RNA) where: Base-Base interactions energy: -11.375 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.000 local terms energy: -20.112027 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -29.303188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.303188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.303188 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -9.844 Base-Backbone interact. energy: -0.000 local terms energy: -19.459370 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.138 flat angles P-C4'-P energy: -4.002 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: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -27.740088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.740088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.740088 (E_RNA) where: Base-Base interactions energy: -8.206 where: short stacking energy: -8.206 Base-Backbone interact. energy: -0.003 local terms energy: -19.531443 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -28.953796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.953796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.953796 (E_RNA) where: Base-Base interactions energy: -9.431 where: short stacking energy: -9.431 Base-Backbone interact. energy: -0.006 local terms energy: -19.516171 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -5.187 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -40.205849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.205849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.205849 (E_RNA) where: Base-Base interactions energy: -18.699 where: short stacking energy: -18.699 Base-Backbone interact. energy: -0.000 local terms energy: -21.507135 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -2.054 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -4.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -40.658746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.658746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.658746 (E_RNA) where: Base-Base interactions energy: -14.110 where: short stacking energy: -14.110 Base-Backbone interact. energy: -0.000 local terms energy: -26.548465 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -4.664 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: 27 Temperature: 1.000000 Total energy: -39.258237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.258237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.258237 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.090 local terms energy: -25.081715 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -35.410012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.410012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.410012 (E_RNA) where: Base-Base interactions energy: -13.828 where: short stacking energy: -13.828 Base-Backbone interact. energy: -0.075 local terms energy: -21.506873 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -2.408 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -36.683223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.683223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.683223 (E_RNA) where: Base-Base interactions energy: -12.988 where: short stacking energy: -12.988 Base-Backbone interact. energy: -0.000 local terms energy: -23.694787 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -31.605858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.605858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.605858 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.055 local terms energy: -20.981465 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -2.705 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: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -34.727156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.727156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.727156 (E_RNA) where: Base-Base interactions energy: -10.444 where: short stacking energy: -10.444 Base-Backbone interact. energy: -0.011 local terms energy: -24.271578 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -27.918506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.918506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.918506 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -9.107 Base-Backbone interact. energy: -0.059 local terms energy: -18.752837 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -2.791 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -31.644356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644356 (E_RNA) where: Base-Base interactions energy: -13.609 where: short stacking energy: -13.609 Base-Backbone interact. energy: -0.047 local terms energy: -17.988442 where: bonds (distance) C4'-P energy: -3.337 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -0.818 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -31.239194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.239194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.239194 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: 0.855 local terms energy: -23.505564 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -39.538489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.538489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.538489 (E_RNA) where: Base-Base interactions energy: -13.641 where: short stacking energy: -13.641 Base-Backbone interact. energy: -0.001 local terms energy: -25.897140 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -36.375842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.375842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.375842 (E_RNA) where: Base-Base interactions energy: -14.916 where: short stacking energy: -14.916 Base-Backbone interact. energy: -0.096 local terms energy: -21.363196 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -33.082498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.082498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.082498 (E_RNA) where: Base-Base interactions energy: -12.611 where: short stacking energy: -12.611 Base-Backbone interact. energy: 0.217 local terms energy: -20.689102 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.629 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: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -33.143496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.143496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.143496 (E_RNA) where: Base-Base interactions energy: -9.321 where: short stacking energy: -9.321 Base-Backbone interact. energy: -0.000 local terms energy: -23.822923 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.086 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: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -41.141080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.141080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.141080 (E_RNA) where: Base-Base interactions energy: -17.084 where: short stacking energy: -17.084 Base-Backbone interact. energy: -0.005 local terms energy: -24.052717 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -36.569566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.569566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.569566 (E_RNA) where: Base-Base interactions energy: -12.934 where: short stacking energy: -12.934 Base-Backbone interact. energy: -0.000 local terms energy: -23.635443 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -4.766 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: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -29.372964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.372964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.372964 (E_RNA) where: Base-Base interactions energy: -10.806 where: short stacking energy: -10.806 Base-Backbone interact. energy: -0.055 local terms energy: -18.511319 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.432 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -2.292 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: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -30.760125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.760125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.760125 (E_RNA) where: Base-Base interactions energy: -8.321 where: short stacking energy: -8.321 Base-Backbone interact. energy: -0.025 local terms energy: -22.414165 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -3.794 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: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -31.641990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.641990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.641990 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.038 local terms energy: -22.326864 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: 0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -27.650875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.650875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.650875 (E_RNA) where: Base-Base interactions energy: -9.352 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.066 local terms energy: -18.233100 where: bonds (distance) C4'-P energy: -3.634 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -2.414 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: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -41.613215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.613215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.613215 (E_RNA) where: Base-Base interactions energy: -17.216 where: short stacking energy: -17.216 Base-Backbone interact. energy: -0.001 local terms energy: -24.396387 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -38.331886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.331886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.331886 (E_RNA) where: Base-Base interactions energy: -14.313 where: short stacking energy: -14.313 Base-Backbone interact. energy: -0.112 local terms energy: -23.906751 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -2.827 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: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -36.025382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.025382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.025382 (E_RNA) where: Base-Base interactions energy: -13.046 where: short stacking energy: -13.046 Base-Backbone interact. energy: -0.000 local terms energy: -22.979063 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -4.743 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: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -35.233462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.233462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.233462 (E_RNA) where: Base-Base interactions energy: -13.187 where: short stacking energy: -13.187 Base-Backbone interact. energy: -0.004 local terms energy: -22.042649 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -2.724 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -38.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.625996 (E_RNA) where: Base-Base interactions energy: -11.380 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.056 local terms energy: -27.190260 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -3.646 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: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -39.293261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.293261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.293261 (E_RNA) where: Base-Base interactions energy: -15.702 where: short stacking energy: -15.702 Base-Backbone interact. energy: -0.002 local terms energy: -23.590241 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.194 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -30.517656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.517656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.517656 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.041 local terms energy: -18.533546 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: 0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -34.597393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.597393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.597393 (E_RNA) where: Base-Base interactions energy: -13.000 where: short stacking energy: -13.000 Base-Backbone interact. energy: -0.062 local terms energy: -21.535635 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -2.379 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: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -31.735675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.735675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.735675 (E_RNA) where: Base-Base interactions energy: -9.876 where: short stacking energy: -9.876 Base-Backbone interact. energy: -0.460 local terms energy: -21.400104 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -27.717914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.717914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.717914 (E_RNA) where: Base-Base interactions energy: -5.952 where: short stacking energy: -5.952 Base-Backbone interact. energy: -0.001 local terms energy: -21.764197 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -3.813 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -3.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -43.476284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476284 (E_RNA) where: Base-Base interactions energy: -14.443 where: short stacking energy: -14.443 Base-Backbone interact. energy: -0.022 local terms energy: -29.011888 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.689 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: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -37.881318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.881318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.881318 (E_RNA) where: Base-Base interactions energy: -13.823 where: short stacking energy: -13.823 Base-Backbone interact. energy: -0.004 local terms energy: -24.053956 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -33.146995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.146995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.146995 (E_RNA) where: Base-Base interactions energy: -11.115 where: short stacking energy: -11.115 Base-Backbone interact. energy: -0.000 local terms energy: -22.032004 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -37.132745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.132745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.132745 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -12.421 Base-Backbone interact. energy: 0.169 local terms energy: -24.880533 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -34.975446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.975446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.975446 (E_RNA) where: Base-Base interactions energy: -11.188 where: short stacking energy: -11.188 Base-Backbone interact. energy: -0.000 local terms energy: -23.787496 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -34.319135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.319135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.319135 (E_RNA) where: Base-Base interactions energy: -12.306 where: short stacking energy: -12.306 Base-Backbone interact. energy: -0.091 local terms energy: -21.921784 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -5.178 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: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -27.339514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.339514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.339514 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: -0.004 local terms energy: -19.861531 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: 0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -32.793320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.793320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.793320 (E_RNA) where: Base-Base interactions energy: -8.763 where: short stacking energy: -8.763 Base-Backbone interact. energy: -0.000 local terms energy: -24.029889 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -5.248 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: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -30.798448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.798448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.798448 (E_RNA) where: Base-Base interactions energy: -7.966 where: short stacking energy: -8.750 Base-Backbone interact. energy: -0.072 local terms energy: -22.760329 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.439 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -29.142197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.142197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.142197 (E_RNA) where: Base-Base interactions energy: -9.070 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.001 local terms energy: -20.071592 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -42.277467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.277467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.277467 (E_RNA) where: Base-Base interactions energy: -16.138 where: short stacking energy: -16.138 Base-Backbone interact. energy: -0.000 local terms energy: -26.139718 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -5.187 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: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -40.855059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.855059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.855059 (E_RNA) where: Base-Base interactions energy: -15.063 where: short stacking energy: -15.063 Base-Backbone interact. energy: -1.593 local terms energy: -24.199125 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -2.188 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: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -39.308366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.308366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.308366 (E_RNA) where: Base-Base interactions energy: -13.023 where: short stacking energy: -13.023 Base-Backbone interact. energy: -0.000 local terms energy: -26.285846 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -38.272397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.272397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.272397 (E_RNA) where: Base-Base interactions energy: -14.196 where: short stacking energy: -13.514 Base-Backbone interact. energy: -0.057 local terms energy: -24.019835 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -38.517360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.517360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.517360 (E_RNA) where: Base-Base interactions energy: -15.289 where: short stacking energy: -15.289 Base-Backbone interact. energy: -0.030 local terms energy: -23.198261 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -29.376696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.376696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.376696 (E_RNA) where: Base-Base interactions energy: -8.852 where: short stacking energy: -8.852 Base-Backbone interact. energy: -0.099 local terms energy: -20.426054 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -31.842259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.842259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.842259 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.056 local terms energy: -22.228974 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.193 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: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -34.004029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.004029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.004029 (E_RNA) where: Base-Base interactions energy: -12.186 where: short stacking energy: -12.186 Base-Backbone interact. energy: -0.000 local terms energy: -21.817130 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -3.341 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: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -28.671484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.671484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.671484 (E_RNA) where: Base-Base interactions energy: -7.081 where: short stacking energy: -7.381 Base-Backbone interact. energy: 0.188 local terms energy: -21.778171 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -26.194838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.194838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.194838 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.001 local terms energy: -18.991929 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: 0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -35.461185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.461185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.461185 (E_RNA) where: Base-Base interactions energy: -13.414 where: short stacking energy: -13.414 Base-Backbone interact. energy: -0.097 local terms energy: -21.949944 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.547 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: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -33.187867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.187867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.187867 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -11.360 Base-Backbone interact. energy: -0.107 local terms energy: -21.720702 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.459 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: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -38.216396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.216396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.216396 (E_RNA) where: Base-Base interactions energy: -13.687 where: short stacking energy: -13.687 Base-Backbone interact. energy: -0.080 local terms energy: -24.448925 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -33.346008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.346008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.346008 (E_RNA) where: Base-Base interactions energy: -8.303 where: short stacking energy: -8.303 Base-Backbone interact. energy: -0.014 local terms energy: -25.029020 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -34.415455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.415455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.415455 (E_RNA) where: Base-Base interactions energy: -13.834 where: short stacking energy: -13.834 Base-Backbone interact. energy: -0.000 local terms energy: -20.580962 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -35.841319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.841319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.841319 (E_RNA) where: Base-Base interactions energy: -13.392 where: short stacking energy: -13.392 Base-Backbone interact. energy: -0.000 local terms energy: -22.448705 where: bonds (distance) C4'-P energy: -1.849 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -31.906392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.906392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.906392 (E_RNA) where: Base-Base interactions energy: -13.337 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.083 local terms energy: -18.487052 where: bonds (distance) C4'-P energy: -1.560 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -32.906864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.906864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.906864 (E_RNA) where: Base-Base interactions energy: -7.668 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.001 local terms energy: -25.237340 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -4.704 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: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -32.619133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.619133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.619133 (E_RNA) where: Base-Base interactions energy: -13.428 where: short stacking energy: -13.428 Base-Backbone interact. energy: -0.132 local terms energy: -19.058819 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: 0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -28.430967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.430967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.430967 (E_RNA) where: Base-Base interactions energy: -8.046 where: short stacking energy: -8.046 Base-Backbone interact. energy: -0.000 local terms energy: -20.385181 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -38.012822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.012822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.012822 (E_RNA) where: Base-Base interactions energy: -14.439 where: short stacking energy: -14.439 Base-Backbone interact. energy: -0.017 local terms energy: -23.557085 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -1.967 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: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -43.775908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.775908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.775908 (E_RNA) where: Base-Base interactions energy: -17.731 where: short stacking energy: -17.731 Base-Backbone interact. energy: -0.000 local terms energy: -26.044494 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -36.299283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.299283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.299283 (E_RNA) where: Base-Base interactions energy: -13.351 where: short stacking energy: -13.351 Base-Backbone interact. energy: -0.007 local terms energy: -22.941534 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -32.405474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.405474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.405474 (E_RNA) where: Base-Base interactions energy: -10.691 where: short stacking energy: -10.691 Base-Backbone interact. energy: -0.003 local terms energy: -21.711261 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.944 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: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -34.450443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.450443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.450443 (E_RNA) where: Base-Base interactions energy: -12.845 where: short stacking energy: -12.845 Base-Backbone interact. energy: -0.032 local terms energy: -21.572736 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -33.873081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.873081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.873081 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.031 local terms energy: -25.139902 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -30.044996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.044996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.044996 (E_RNA) where: Base-Base interactions energy: -12.794 where: short stacking energy: -12.794 Base-Backbone interact. energy: -0.642 local terms energy: -16.609192 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -2.528 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: 0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -28.706510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.706510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.706510 (E_RNA) where: Base-Base interactions energy: -7.973 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.191 local terms energy: -20.542760 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.561 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: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -28.357195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.357195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.357195 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.000 local terms energy: -20.292342 where: bonds (distance) C4'-P energy: -1.453 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.111 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: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -28.055741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.055741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.055741 (E_RNA) where: Base-Base interactions energy: -10.073 where: short stacking energy: -10.073 Base-Backbone interact. energy: -0.127 local terms energy: -17.856063 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.405 flat angles P-C4'-P energy: -4.320 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: 1, replica: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -37.625031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.625031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.625031 (E_RNA) where: Base-Base interactions energy: -14.450 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.004 local terms energy: -23.171003 where: bonds (distance) C4'-P energy: -3.581 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.602 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: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -39.683933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.683933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.683933 (E_RNA) where: Base-Base interactions energy: -16.829 where: short stacking energy: -16.829 Base-Backbone interact. energy: -0.011 local terms energy: -22.844882 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.065 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: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -41.507646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.507646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.507646 (E_RNA) where: Base-Base interactions energy: -14.751 where: short stacking energy: -14.751 Base-Backbone interact. energy: -0.018 local terms energy: -26.739371 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -4.901 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: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -40.637718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.637718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.637718 (E_RNA) where: Base-Base interactions energy: -15.761 where: short stacking energy: -15.761 Base-Backbone interact. energy: -0.015 local terms energy: -24.861783 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -4.705 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: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -35.306508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.306508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.306508 (E_RNA) where: Base-Base interactions energy: -13.994 where: short stacking energy: -13.994 Base-Backbone interact. energy: -0.090 local terms energy: -21.223022 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -36.200593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200593 (E_RNA) where: Base-Base interactions energy: -16.322 where: short stacking energy: -16.322 Base-Backbone interact. energy: -0.001 local terms energy: -19.877351 where: bonds (distance) C4'-P energy: -2.500 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -28.037757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.037757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.037757 (E_RNA) where: Base-Base interactions energy: -5.371 where: short stacking energy: -5.371 Base-Backbone interact. energy: -0.008 local terms energy: -22.658834 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -4.020 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: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -32.600840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.600840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.600840 (E_RNA) where: Base-Base interactions energy: -11.561 where: short stacking energy: -11.561 Base-Backbone interact. energy: -0.040 local terms energy: -21.000493 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -32.407490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.407490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.407490 (E_RNA) where: Base-Base interactions energy: -11.994 where: short stacking energy: -11.994 Base-Backbone interact. energy: -0.002 local terms energy: -20.411307 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.564 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: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -30.052714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.052714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.052714 (E_RNA) where: Base-Base interactions energy: -8.987 where: short stacking energy: -8.987 Base-Backbone interact. energy: -0.014 local terms energy: -21.051734 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -3.904 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: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -41.372363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.372363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.372363 (E_RNA) where: Base-Base interactions energy: -17.232 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.000 local terms energy: -24.140482 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -40.870124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.870124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.870124 (E_RNA) where: Base-Base interactions energy: -13.890 where: short stacking energy: -13.890 Base-Backbone interact. energy: -0.097 local terms energy: -26.882506 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -34.750679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.750679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.750679 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.005 local terms energy: -22.468764 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -33.374095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.374095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.374095 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.186 local terms energy: -22.444558 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -34.065156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.065156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.065156 (E_RNA) where: Base-Base interactions energy: -12.549 where: short stacking energy: -12.549 Base-Backbone interact. energy: -0.000 local terms energy: -21.516311 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -34.945273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945273 (E_RNA) where: Base-Base interactions energy: -13.758 where: short stacking energy: -13.758 Base-Backbone interact. energy: -0.001 local terms energy: -21.186139 where: bonds (distance) C4'-P energy: -2.243 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -33.621478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.621478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.621478 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.777 Base-Backbone interact. energy: -0.000 local terms energy: -22.844427 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -29.973666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973666 (E_RNA) where: Base-Base interactions energy: -9.518 where: short stacking energy: -9.518 Base-Backbone interact. energy: -0.001 local terms energy: -20.454991 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: 0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -30.264717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.264717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.264717 (E_RNA) where: Base-Base interactions energy: -7.400 where: short stacking energy: -7.400 Base-Backbone interact. energy: -0.047 local terms energy: -22.817232 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -3.296 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: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -30.383933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.383933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.383933 (E_RNA) where: Base-Base interactions energy: -12.002 where: short stacking energy: -12.002 Base-Backbone interact. energy: -0.017 local terms energy: -18.364613 where: bonds (distance) C4'-P energy: -2.880 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -4.223 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: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -40.954141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.954141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.954141 (E_RNA) where: Base-Base interactions energy: -17.176 where: short stacking energy: -17.176 Base-Backbone interact. energy: -0.000 local terms energy: -23.777708 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -2.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -36.005808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.005808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.005808 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.000 local terms energy: -22.659642 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.478 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: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -38.908022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.908022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.908022 (E_RNA) where: Base-Base interactions energy: -16.721 where: short stacking energy: -16.721 Base-Backbone interact. energy: -0.001 local terms energy: -22.185486 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -4.996 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: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -43.296353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.296353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.296353 (E_RNA) where: Base-Base interactions energy: -17.855 where: short stacking energy: -17.855 Base-Backbone interact. energy: -0.001 local terms energy: -25.441097 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -35.338088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.338088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.338088 (E_RNA) where: Base-Base interactions energy: -13.109 where: short stacking energy: -13.109 Base-Backbone interact. energy: -0.009 local terms energy: -22.219142 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -34.709395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.709395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.709395 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.635 Base-Backbone interact. energy: -0.101 local terms energy: -20.405907 where: bonds (distance) C4'-P energy: -3.080 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -31.687694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.687694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.687694 (E_RNA) where: Base-Base interactions energy: -6.312 where: short stacking energy: -6.312 Base-Backbone interact. energy: -0.013 local terms energy: -25.362690 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.295 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: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -30.862354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.862354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.862354 (E_RNA) where: Base-Base interactions energy: -8.678 where: short stacking energy: -8.678 Base-Backbone interact. energy: -0.000 local terms energy: -22.183916 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -32.727668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.727668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.727668 (E_RNA) where: Base-Base interactions energy: -12.595 where: short stacking energy: -12.595 Base-Backbone interact. energy: -0.000 local terms energy: -20.133018 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: 0.161 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: 1 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -27.330122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.330122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.330122 (E_RNA) where: Base-Base interactions energy: -8.188 where: short stacking energy: -8.188 Base-Backbone interact. energy: -0.135 local terms energy: -19.006368 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.014 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: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -43.878904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.878904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.878904 (E_RNA) where: Base-Base interactions energy: -17.452 where: short stacking energy: -17.452 Base-Backbone interact. energy: -0.002 local terms energy: -26.424671 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -34.077276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.077276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.077276 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.066 local terms energy: -22.257660 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -2.719 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: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -40.382456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.382456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.382456 (E_RNA) where: Base-Base interactions energy: -17.360 where: short stacking energy: -17.360 Base-Backbone interact. energy: -0.004 local terms energy: -23.018870 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -28.082374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.082374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.082374 (E_RNA) where: Base-Base interactions energy: -8.596 where: short stacking energy: -8.596 Base-Backbone interact. energy: -0.038 local terms energy: -19.448715 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.721 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: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -39.379084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.379084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.379084 (E_RNA) where: Base-Base interactions energy: -12.991 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.079 local terms energy: -26.308629 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -37.646599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.646599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.646599 (E_RNA) where: Base-Base interactions energy: -13.599 where: short stacking energy: -13.599 Base-Backbone interact. energy: -0.000 local terms energy: -24.047931 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -3.546 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: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -30.257836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.257836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.257836 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.094 local terms energy: -20.024312 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -3.695 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: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -33.626508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.626508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.626508 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.003 local terms energy: -21.165649 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -29.790887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.790887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.790887 (E_RNA) where: Base-Base interactions energy: -9.959 where: short stacking energy: -9.959 Base-Backbone interact. energy: -0.000 local terms energy: -19.831957 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -3.746 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: 1 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -31.055198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.055198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.055198 (E_RNA) where: Base-Base interactions energy: -8.164 where: short stacking energy: -8.164 Base-Backbone interact. energy: -0.001 local terms energy: -22.891025 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -42.359212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.359212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.359212 (E_RNA) where: Base-Base interactions energy: -14.692 where: short stacking energy: -14.692 Base-Backbone interact. energy: -0.666 local terms energy: -27.000753 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.076 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: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -35.651719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.651719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.651719 (E_RNA) where: Base-Base interactions energy: -12.430 where: short stacking energy: -12.430 Base-Backbone interact. energy: -0.000 local terms energy: -23.221425 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -39.668575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.668575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.668575 (E_RNA) where: Base-Base interactions energy: -16.203 where: short stacking energy: -16.203 Base-Backbone interact. energy: -0.000 local terms energy: -23.465685 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -4.343 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: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -30.594926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.594926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.594926 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -9.107 Base-Backbone interact. energy: -0.001 local terms energy: -21.486620 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -4.535 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: 5, replica: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -34.728141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.728141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.728141 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.001 local terms energy: -23.686183 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -32.233028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.233028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.233028 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.070 local terms energy: -18.396862 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -2.933 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: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -32.011599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.011599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.011599 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -12.276 Base-Backbone interact. energy: -0.000 local terms energy: -19.735118 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: 2.232 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: 5 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -28.887707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.887707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.887707 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.028 local terms energy: -21.292879 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.635 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -5.162 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: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -33.243531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.243531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.243531 (E_RNA) where: Base-Base interactions energy: -6.935 where: short stacking energy: -6.935 Base-Backbone interact. energy: -0.037 local terms energy: -26.272104 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -3.976 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: 10, replica: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -25.723192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.723192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.723192 (E_RNA) where: Base-Base interactions energy: -5.750 where: short stacking energy: -5.750 Base-Backbone interact. energy: -0.005 local terms energy: -19.967936 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -1.285 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -41.886246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.886246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.886246 (E_RNA) where: Base-Base interactions energy: -16.284 where: short stacking energy: -16.284 Base-Backbone interact. energy: -0.000 local terms energy: -25.602522 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -38.906894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.906894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.906894 (E_RNA) where: Base-Base interactions energy: -14.094 where: short stacking energy: -14.094 Base-Backbone interact. energy: -0.089 local terms energy: -24.723639 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -41.404924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.404924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.404924 (E_RNA) where: Base-Base interactions energy: -18.108 where: short stacking energy: -18.108 Base-Backbone interact. energy: -0.521 local terms energy: -22.775941 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.107 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -34.197503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.197503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.197503 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -10.041 Base-Backbone interact. energy: -0.100 local terms energy: -24.056722 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -30.316191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.316191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.316191 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.093 local terms energy: -22.202916 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: 0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -39.533867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.533867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.533867 (E_RNA) where: Base-Base interactions energy: -15.889 where: short stacking energy: -16.152 Base-Backbone interact. energy: -0.379 local terms energy: -23.265966 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -36.061135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.061135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.061135 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -9.611 Base-Backbone interact. energy: -0.000 local terms energy: -26.449700 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -34.019932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.019932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.019932 (E_RNA) where: Base-Base interactions energy: -10.851 where: short stacking energy: -10.851 Base-Backbone interact. energy: -0.093 local terms energy: -23.076090 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.706 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: 9, replica: 5 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -30.456768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.456768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.456768 (E_RNA) where: Base-Base interactions energy: -7.076 where: short stacking energy: -7.076 Base-Backbone interact. energy: -0.587 local terms energy: -22.793524 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.605 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: 10, replica: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -26.997541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.997541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.997541 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.077 local terms energy: -17.434361 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -2.368 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: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -36.861112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.861112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.861112 (E_RNA) where: Base-Base interactions energy: -13.615 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.001 local terms energy: -23.244716 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -3.851 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: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -36.192800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.192800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.192800 (E_RNA) where: Base-Base interactions energy: -12.226 where: short stacking energy: -12.226 Base-Backbone interact. energy: -1.338 local terms energy: -22.628673 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -36.806527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806527 (E_RNA) where: Base-Base interactions energy: -16.035 where: short stacking energy: -16.035 Base-Backbone interact. energy: -0.008 local terms energy: -20.764034 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.335 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.620 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: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -32.429591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429591 (E_RNA) where: Base-Base interactions energy: -9.871 where: short stacking energy: -9.871 Base-Backbone interact. energy: -0.000 local terms energy: -22.558275 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -36.416558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.416558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.416558 (E_RNA) where: Base-Base interactions energy: -13.209 where: short stacking energy: -13.209 Base-Backbone interact. energy: -0.000 local terms energy: -23.207425 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: -4.177 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: 6, replica: 7 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -33.953426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.953426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.953426 (E_RNA) where: Base-Base interactions energy: -9.243 where: short stacking energy: -8.573 Base-Backbone interact. energy: -0.095 local terms energy: -24.615348 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -29.022860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.022860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.022860 (E_RNA) where: Base-Base interactions energy: -7.361 where: short stacking energy: -7.361 Base-Backbone interact. energy: -0.000 local terms energy: -21.662134 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -31.693634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.693634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.693634 (E_RNA) where: Base-Base interactions energy: -9.315 where: short stacking energy: -9.315 Base-Backbone interact. energy: -0.000 local terms energy: -22.378826 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -29.742936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.742936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.742936 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.073 local terms energy: -22.955325 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -4.834 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: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -32.941446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.941446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.941446 (E_RNA) where: Base-Base interactions energy: -8.537 where: short stacking energy: -8.537 Base-Backbone interact. energy: -0.000 local terms energy: -24.404633 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.319 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: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -39.574882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.574882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.574882 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.006 local terms energy: -26.304476 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -36.621660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.621660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.621660 (E_RNA) where: Base-Base interactions energy: -12.840 where: short stacking energy: -12.840 Base-Backbone interact. energy: -0.099 local terms energy: -23.682932 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -1.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -39.209978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.209978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.209978 (E_RNA) where: Base-Base interactions energy: -13.586 where: short stacking energy: -13.586 Base-Backbone interact. energy: -0.000 local terms energy: -25.624331 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -2.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -36.273773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.273773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.273773 (E_RNA) where: Base-Base interactions energy: -14.947 where: short stacking energy: -14.947 Base-Backbone interact. energy: -0.091 local terms energy: -21.235675 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -1.645 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -39.864504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.864504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.864504 (E_RNA) where: Base-Base interactions energy: -12.863 where: short stacking energy: -12.863 Base-Backbone interact. energy: -0.000 local terms energy: -27.001383 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -35.709884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.709884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.709884 (E_RNA) where: Base-Base interactions energy: -13.532 where: short stacking energy: -13.532 Base-Backbone interact. energy: -0.028 local terms energy: -22.149819 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.215 flat angles P-C4'-P energy: -5.623 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: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -31.150170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.150170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.150170 (E_RNA) where: Base-Base interactions energy: -9.641 where: short stacking energy: -9.641 Base-Backbone interact. energy: -0.038 local terms energy: -21.471452 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.043 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: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -27.566589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.566589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.566589 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.006 local terms energy: -18.838787 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -4.423 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: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -34.610587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.610587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.610587 (E_RNA) where: Base-Base interactions energy: -10.646 where: short stacking energy: -10.646 Base-Backbone interact. energy: -0.162 local terms energy: -23.803052 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -5.241 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: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -27.430851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.430851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.430851 (E_RNA) where: Base-Base interactions energy: -11.804 where: short stacking energy: -11.804 Base-Backbone interact. energy: -0.066 local terms energy: -15.561083 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.061 flat angles C4'-P-C4' energy: -3.766 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: 0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -42.208455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.208455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.208455 (E_RNA) where: Base-Base interactions energy: -15.704 where: short stacking energy: -15.704 Base-Backbone interact. energy: -0.000 local terms energy: -26.504204 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -6.094 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: 42 Temperature: 0.950000 Total energy: -41.071187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.071187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.071187 (E_RNA) where: Base-Base interactions energy: -14.616 where: short stacking energy: -14.616 Base-Backbone interact. energy: -0.001 local terms energy: -26.454179 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -36.959208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.959208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.959208 (E_RNA) where: Base-Base interactions energy: -13.159 where: short stacking energy: -13.159 Base-Backbone interact. energy: -0.002 local terms energy: -23.798322 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -5.070 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: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -35.163699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163699 (E_RNA) where: Base-Base interactions energy: -9.376 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.000 local terms energy: -25.788085 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -5.334 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: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -37.507623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.507623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.507623 (E_RNA) where: Base-Base interactions energy: -11.889 where: short stacking energy: -11.889 Base-Backbone interact. energy: -0.000 local terms energy: -25.618793 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -38.677813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.677813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.677813 (E_RNA) where: Base-Base interactions energy: -15.906 where: short stacking energy: -15.906 Base-Backbone interact. energy: -0.000 local terms energy: -22.772275 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.118 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: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -28.945446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.945446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.945446 (E_RNA) where: Base-Base interactions energy: -9.249 where: short stacking energy: -9.249 Base-Backbone interact. energy: 0.176 local terms energy: -19.872140 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: 0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -30.017105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.017105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.017105 (E_RNA) where: Base-Base interactions energy: -12.334 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.093 local terms energy: -17.590252 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: 1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -28.343767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.343767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.343767 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -7.589 Base-Backbone interact. energy: -0.000 local terms energy: -20.754476 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: 0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -26.739399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.739399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.739399 (E_RNA) where: Base-Base interactions energy: -5.759 where: short stacking energy: -5.759 Base-Backbone interact. energy: -0.156 local terms energy: -20.823770 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -2.878 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: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -42.485272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.485272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.485272 (E_RNA) where: Base-Base interactions energy: -15.731 where: short stacking energy: -15.731 Base-Backbone interact. energy: -0.004 local terms energy: -26.750137 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -37.000586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.000586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.000586 (E_RNA) where: Base-Base interactions energy: -16.363 where: short stacking energy: -16.363 Base-Backbone interact. energy: -0.012 local terms energy: -20.624989 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -4.596 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: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -37.092516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.092516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.092516 (E_RNA) where: Base-Base interactions energy: -13.176 where: short stacking energy: -13.176 Base-Backbone interact. energy: -0.086 local terms energy: -23.830513 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -31.807088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.807088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.807088 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.073 local terms energy: -21.156515 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -38.087307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.087307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.087307 (E_RNA) where: Base-Base interactions energy: -14.265 where: short stacking energy: -14.265 Base-Backbone interact. energy: -0.001 local terms energy: -23.821724 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -4.138 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: 6, replica: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -34.013531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.013531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.013531 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.007 local terms energy: -22.742172 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.327 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: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -34.760377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.760377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.760377 (E_RNA) where: Base-Base interactions energy: -13.370 where: short stacking energy: -13.370 Base-Backbone interact. energy: -0.063 local terms energy: -21.327912 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -3.409 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: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -37.021098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.021098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.021098 (E_RNA) where: Base-Base interactions energy: -13.992 where: short stacking energy: -13.992 Base-Backbone interact. energy: -0.061 local terms energy: -22.967772 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -33.085601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.085601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.085601 (E_RNA) where: Base-Base interactions energy: -13.754 where: short stacking energy: -13.754 Base-Backbone interact. energy: -0.000 local terms energy: -19.331297 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -2.830 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: 3 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -27.960719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.960719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.960719 (E_RNA) where: Base-Base interactions energy: -8.629 where: short stacking energy: -8.629 Base-Backbone interact. energy: -0.000 local terms energy: -19.331394 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -1.523 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: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -34.916917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916917 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.136 local terms energy: -23.883049 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -4.907 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: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -34.142853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.142853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.142853 (E_RNA) where: Base-Base interactions energy: -12.072 where: short stacking energy: -12.072 Base-Backbone interact. energy: -0.028 local terms energy: -22.042943 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -1.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -38.552838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.552838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.552838 (E_RNA) where: Base-Base interactions energy: -16.671 where: short stacking energy: -16.671 Base-Backbone interact. energy: -0.055 local terms energy: -21.826267 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -41.491203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.491203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.491203 (E_RNA) where: Base-Base interactions energy: -15.529 where: short stacking energy: -15.529 Base-Backbone interact. energy: -0.004 local terms energy: -25.959035 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -5.150 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: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -35.542343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.542343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.542343 (E_RNA) where: Base-Base interactions energy: -10.763 where: short stacking energy: -10.763 Base-Backbone interact. energy: 0.036 local terms energy: -24.814558 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -5.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -32.975522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.975522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.975522 (E_RNA) where: Base-Base interactions energy: -7.683 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.003 local terms energy: -25.289923 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -30.556560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.556560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.556560 (E_RNA) where: Base-Base interactions energy: -9.249 where: short stacking energy: -9.249 Base-Backbone interact. energy: -0.000 local terms energy: -21.307061 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -4.822 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.093 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: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -30.389934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.389934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.389934 (E_RNA) where: Base-Base interactions energy: -10.072 where: short stacking energy: -10.072 Base-Backbone interact. energy: -0.131 local terms energy: -20.187800 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -31.826741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826741 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.003 local terms energy: -22.351798 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.678 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: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -32.168134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168134 (E_RNA) where: Base-Base interactions energy: -12.274 where: short stacking energy: -12.274 Base-Backbone interact. energy: -0.000 local terms energy: -19.893719 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -2.641 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -40.753628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.753628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.753628 (E_RNA) where: Base-Base interactions energy: -14.711 where: short stacking energy: -14.711 Base-Backbone interact. energy: -0.076 local terms energy: -25.966590 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -3.972 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: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -39.457850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.457850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.457850 (E_RNA) where: Base-Base interactions energy: -16.516 where: short stacking energy: -16.516 Base-Backbone interact. energy: -0.001 local terms energy: -22.940453 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -3.781 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: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -38.786376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.786376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.786376 (E_RNA) where: Base-Base interactions energy: -17.967 where: short stacking energy: -17.967 Base-Backbone interact. energy: -0.044 local terms energy: -20.775621 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -2.118 flat angles P-C4'-P energy: -5.131 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: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -35.979833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.979833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.979833 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.070 local terms energy: -24.140622 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.105 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: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -32.232819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.232819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.232819 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: -6.702 Base-Backbone interact. energy: -0.099 local terms energy: -25.431806 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.208 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: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -33.357569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.357569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.357569 (E_RNA) where: Base-Base interactions energy: -12.038 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.000 local terms energy: -21.319728 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.168 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: 7, replica: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -32.050994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.050994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.050994 (E_RNA) where: Base-Base interactions energy: -11.245 where: short stacking energy: -11.245 Base-Backbone interact. energy: -0.000 local terms energy: -20.805892 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -3.702 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -29.658212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.658212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.658212 (E_RNA) where: Base-Base interactions energy: -9.159 where: short stacking energy: -9.159 Base-Backbone interact. energy: -0.059 local terms energy: -20.440006 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: 2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -34.725182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.725182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.725182 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.000 local terms energy: -22.901255 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -1.615 flat angles P-C4'-P energy: -4.206 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: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -27.959006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.959006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.959006 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.005 local terms energy: -19.451082 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -2.417 flat angles P-C4'-P energy: -4.361 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: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -41.143972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.143972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.143972 (E_RNA) where: Base-Base interactions energy: -15.820 where: short stacking energy: -15.820 Base-Backbone interact. energy: -0.010 local terms energy: -25.313181 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -36.734485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.734485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.734485 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.023 local terms energy: -23.201228 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -39.225865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.225865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.225865 (E_RNA) where: Base-Base interactions energy: -13.228 where: short stacking energy: -13.228 Base-Backbone interact. energy: -0.004 local terms energy: -25.993550 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -35.546722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.546722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.546722 (E_RNA) where: Base-Base interactions energy: -9.864 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.000 local terms energy: -25.682616 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -38.939995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.939995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.939995 (E_RNA) where: Base-Base interactions energy: -15.377 where: short stacking energy: -15.377 Base-Backbone interact. energy: -0.001 local terms energy: -23.561898 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -5.356 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: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -34.403182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403182 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.014 local terms energy: -22.865744 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -38.406391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.406391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.406391 (E_RNA) where: Base-Base interactions energy: -16.345 where: short stacking energy: -16.345 Base-Backbone interact. energy: -0.002 local terms energy: -22.060151 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -3.521 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: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -29.314505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.314505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.314505 (E_RNA) where: Base-Base interactions energy: -9.077 where: short stacking energy: -8.414 Base-Backbone interact. energy: -0.101 local terms energy: -20.136170 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: 1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -27.816078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.816078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.816078 (E_RNA) where: Base-Base interactions energy: -7.447 where: short stacking energy: -7.447 Base-Backbone interact. energy: -0.001 local terms energy: -20.368016 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -2.493 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: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -29.909937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.909937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.909937 (E_RNA) where: Base-Base interactions energy: -9.859 where: short stacking energy: -9.859 Base-Backbone interact. energy: -0.106 local terms energy: -19.944780 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -37.312627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.312627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.312627 (E_RNA) where: Base-Base interactions energy: -14.067 where: short stacking energy: -14.067 Base-Backbone interact. energy: -0.001 local terms energy: -23.243836 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -37.477461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.477461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.477461 (E_RNA) where: Base-Base interactions energy: -16.006 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.000 local terms energy: -21.471639 where: bonds (distance) C4'-P energy: -3.910 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -35.878192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.878192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.878192 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.000 local terms energy: -23.442389 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -2.653 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: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -35.957083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.957083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.957083 (E_RNA) where: Base-Base interactions energy: -9.450 where: short stacking energy: -9.450 Base-Backbone interact. energy: -0.002 local terms energy: -26.504273 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -33.770866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.770866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.770866 (E_RNA) where: Base-Base interactions energy: -11.574 where: short stacking energy: -11.574 Base-Backbone interact. energy: -0.097 local terms energy: -22.100312 where: bonds (distance) C4'-P energy: -2.533 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -5.077 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: 6, replica: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -30.448627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.448627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.448627 (E_RNA) where: Base-Base interactions energy: -10.145 where: short stacking energy: -10.145 Base-Backbone interact. energy: -0.000 local terms energy: -20.303051 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -2.620 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: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -30.523928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.523928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.523928 (E_RNA) where: Base-Base interactions energy: -11.511 where: short stacking energy: -11.511 Base-Backbone interact. energy: -0.002 local terms energy: -19.011113 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -30.334770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.334770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.334770 (E_RNA) where: Base-Base interactions energy: -9.430 where: short stacking energy: -9.430 Base-Backbone interact. energy: -0.003 local terms energy: -20.901333 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -28.411317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.411317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.411317 (E_RNA) where: Base-Base interactions energy: -6.469 where: short stacking energy: -6.469 Base-Backbone interact. energy: -0.097 local terms energy: -21.845254 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -27.683536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.683536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.683536 (E_RNA) where: Base-Base interactions energy: -8.905 where: short stacking energy: -8.905 Base-Backbone interact. energy: -0.138 local terms energy: -18.640609 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: 1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -39.707664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.707664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.707664 (E_RNA) where: Base-Base interactions energy: -13.593 where: short stacking energy: -13.593 Base-Backbone interact. energy: -0.002 local terms energy: -26.112911 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -3.597 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: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -38.508987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.508987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.508987 (E_RNA) where: Base-Base interactions energy: -14.653 where: short stacking energy: -14.653 Base-Backbone interact. energy: -0.000 local terms energy: -23.855561 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -4.125 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: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -39.992538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.992538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.992538 (E_RNA) where: Base-Base interactions energy: -16.597 where: short stacking energy: -16.597 Base-Backbone interact. energy: -0.000 local terms energy: -23.395151 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -34.687102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.687102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.687102 (E_RNA) where: Base-Base interactions energy: -16.221 where: short stacking energy: -16.221 Base-Backbone interact. energy: -0.020 local terms energy: -18.445712 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.585 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: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -36.153930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153930 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -24.205053 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -0.952 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -32.299988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.299988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.299988 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.560 local terms energy: -23.043530 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -30.943594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.943594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.943594 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.000 local terms energy: -22.590645 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -33.531017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.531017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.531017 (E_RNA) where: Base-Base interactions energy: -15.323 where: short stacking energy: -15.323 Base-Backbone interact. energy: -0.008 local terms energy: -18.199944 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -1.824 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -4.661 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: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -29.973894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973894 (E_RNA) where: Base-Base interactions energy: -11.000 where: short stacking energy: -11.000 Base-Backbone interact. energy: -0.084 local terms energy: -18.889083 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.182 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: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -30.902125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.902125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.902125 (E_RNA) where: Base-Base interactions energy: -10.394 where: short stacking energy: -10.394 Base-Backbone interact. energy: -0.000 local terms energy: -20.507857 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -1.377 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -43.480101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.480101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.480101 (E_RNA) where: Base-Base interactions energy: -18.586 where: short stacking energy: -18.586 Base-Backbone interact. energy: -0.002 local terms energy: -24.892242 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -4.963 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: 2, replica: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -45.035821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.035821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.035821 (E_RNA) where: Base-Base interactions energy: -18.443 where: short stacking energy: -18.443 Base-Backbone interact. energy: -0.000 local terms energy: -26.592645 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -39.501581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.501581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.501581 (E_RNA) where: Base-Base interactions energy: -14.057 where: short stacking energy: -14.057 Base-Backbone interact. energy: -0.003 local terms energy: -25.441797 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -32.389037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.389037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.389037 (E_RNA) where: Base-Base interactions energy: -9.067 where: short stacking energy: -9.067 Base-Backbone interact. energy: -0.005 local terms energy: -23.317178 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -33.734554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.734554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.734554 (E_RNA) where: Base-Base interactions energy: -10.084 where: short stacking energy: -10.084 Base-Backbone interact. energy: -0.000 local terms energy: -23.650822 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.576 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: 6, replica: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -29.439180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.439180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.439180 (E_RNA) where: Base-Base interactions energy: -6.635 where: short stacking energy: -6.635 Base-Backbone interact. energy: -0.001 local terms energy: -22.803485 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -5.210 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: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -28.562564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.562564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.562564 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.032 local terms energy: -19.308762 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -1.781 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -32.350503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.350503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.350503 (E_RNA) where: Base-Base interactions energy: -10.787 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.015 local terms energy: -21.548208 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -2.565 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -27.602993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.602993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.602993 (E_RNA) where: Base-Base interactions energy: -5.380 where: short stacking energy: -5.380 Base-Backbone interact. energy: -0.026 local terms energy: -22.197319 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.709 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: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -34.628943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.628943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.628943 (E_RNA) where: Base-Base interactions energy: -11.218 where: short stacking energy: -11.218 Base-Backbone interact. energy: -0.060 local terms energy: -23.350647 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.034 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: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -42.313259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.313259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.313259 (E_RNA) where: Base-Base interactions energy: -17.833 where: short stacking energy: -17.833 Base-Backbone interact. energy: -0.000 local terms energy: -24.479746 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -40.636093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.636093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.636093 (E_RNA) where: Base-Base interactions energy: -17.784 where: short stacking energy: -17.784 Base-Backbone interact. energy: -0.000 local terms energy: -22.851396 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.923 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -38.143054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.143054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.143054 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -11.993 Base-Backbone interact. energy: -0.097 local terms energy: -26.052433 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -31.759730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.759730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.759730 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -11.280 Base-Backbone interact. energy: -0.001 local terms energy: -20.479422 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -4.332 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: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -39.904190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.904190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.904190 (E_RNA) where: Base-Base interactions energy: -15.698 where: short stacking energy: -15.698 Base-Backbone interact. energy: -0.000 local terms energy: -24.205673 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -2.352 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -31.379439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.379439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.379439 (E_RNA) where: Base-Base interactions energy: -10.262 where: short stacking energy: -10.262 Base-Backbone interact. energy: -0.001 local terms energy: -21.117046 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -33.243774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.243774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.243774 (E_RNA) where: Base-Base interactions energy: -9.189 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.000 local terms energy: -24.054534 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -30.768194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.768194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.768194 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.024 local terms energy: -23.517965 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.277 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: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -33.676858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.676858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.676858 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -11.168 Base-Backbone interact. energy: -0.001 local terms energy: -22.507950 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -31.676199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676199 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.000 local terms energy: -22.204606 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -44.264748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.264748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.264748 (E_RNA) where: Base-Base interactions energy: -16.904 where: short stacking energy: -16.904 Base-Backbone interact. energy: -0.000 local terms energy: -27.360496 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.173 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: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -37.765203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.765203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.765203 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.000 local terms energy: -23.776034 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -3.495 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: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -34.939542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.939542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.939542 (E_RNA) where: Base-Base interactions energy: -13.439 where: short stacking energy: -13.439 Base-Backbone interact. energy: -0.010 local terms energy: -21.491314 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -2.633 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: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -35.201665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.201665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.201665 (E_RNA) where: Base-Base interactions energy: -9.808 where: short stacking energy: -9.808 Base-Backbone interact. energy: -0.102 local terms energy: -25.291845 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -2.712 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: 5, replica: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -31.338289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.338289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.338289 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.011 local terms energy: -21.142532 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.129 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: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -36.559825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.559825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.559825 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.000 local terms energy: -25.221559 where: bonds (distance) C4'-P energy: -5.178 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -29.174508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.174508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.174508 (E_RNA) where: Base-Base interactions energy: -9.478 where: short stacking energy: -9.478 Base-Backbone interact. energy: -0.000 local terms energy: -19.696637 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -32.796751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.796751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.796751 (E_RNA) where: Base-Base interactions energy: -11.142 where: short stacking energy: -11.142 Base-Backbone interact. energy: -0.000 local terms energy: -21.655041 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -4.335 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -31.013365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.013365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.013365 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.060 local terms energy: -19.887985 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.494 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -30.839225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.839225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.839225 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.018 local terms energy: -22.681899 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.777 flat angles P-C4'-P energy: -3.870 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: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -42.225820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.225820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.225820 (E_RNA) where: Base-Base interactions energy: -17.550 where: short stacking energy: -17.550 Base-Backbone interact. energy: -0.007 local terms energy: -24.668962 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -38.085088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.085088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.085088 (E_RNA) where: Base-Base interactions energy: -12.822 where: short stacking energy: -12.822 Base-Backbone interact. energy: -0.000 local terms energy: -25.262973 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.175 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: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -36.387441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.387441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.387441 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.000 local terms energy: -27.067640 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -34.136375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.136375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.136375 (E_RNA) where: Base-Base interactions energy: -10.728 where: short stacking energy: -10.728 Base-Backbone interact. energy: -0.007 local terms energy: -23.401512 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -37.844037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.844037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.844037 (E_RNA) where: Base-Base interactions energy: -13.882 where: short stacking energy: -13.882 Base-Backbone interact. energy: -0.001 local terms energy: -23.961182 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -2.864 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: 6, replica: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -37.199527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.199527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.199527 (E_RNA) where: Base-Base interactions energy: -14.053 where: short stacking energy: -10.109 Base-Backbone interact. energy: -0.398 local terms energy: -22.749025 where: bonds (distance) C4'-P energy: -3.228 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -34.119244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.119244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.119244 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.000 local terms energy: -23.076787 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -34.817586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.817586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.817586 (E_RNA) where: Base-Base interactions energy: -12.159 where: short stacking energy: -12.159 Base-Backbone interact. energy: -0.070 local terms energy: -22.588670 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -2.426 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -27.704916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.704916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.704916 (E_RNA) where: Base-Base interactions energy: -10.154 where: short stacking energy: -10.154 Base-Backbone interact. energy: -0.009 local terms energy: -17.542084 where: bonds (distance) C4'-P energy: -3.556 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -2.751 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: 10, replica: 3 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -27.400265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.400265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.400265 (E_RNA) where: Base-Base interactions energy: -4.336 where: short stacking energy: -4.336 Base-Backbone interact. energy: -0.055 local terms energy: -23.009414 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: 0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -37.420630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.420630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.420630 (E_RNA) where: Base-Base interactions energy: -13.910 where: short stacking energy: -13.910 Base-Backbone interact. energy: -0.117 local terms energy: -23.393961 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.171 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: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -41.117231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.117231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.117231 (E_RNA) where: Base-Base interactions energy: -12.817 where: short stacking energy: -12.817 Base-Backbone interact. energy: -0.014 local terms energy: -28.286398 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.423 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: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -34.734190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.734190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.734190 (E_RNA) where: Base-Base interactions energy: -14.033 where: short stacking energy: -14.033 Base-Backbone interact. energy: -0.000 local terms energy: -20.700937 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -38.896544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.896544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.896544 (E_RNA) where: Base-Base interactions energy: -14.176 where: short stacking energy: -14.176 Base-Backbone interact. energy: -0.000 local terms energy: -24.720302 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -35.638013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.638013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.638013 (E_RNA) where: Base-Base interactions energy: -15.604 where: short stacking energy: -15.604 Base-Backbone interact. energy: -0.010 local terms energy: -20.024164 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -35.673546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.673546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.673546 (E_RNA) where: Base-Base interactions energy: -13.757 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.066 local terms energy: -21.850743 where: bonds (distance) C4'-P energy: -3.743 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -32.670905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.670905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.670905 (E_RNA) where: Base-Base interactions energy: -9.489 where: short stacking energy: -9.489 Base-Backbone interact. energy: -0.005 local terms energy: -23.177025 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.973 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: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -29.747699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.747699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.747699 (E_RNA) where: Base-Base interactions energy: -8.733 where: short stacking energy: -8.733 Base-Backbone interact. energy: -0.002 local terms energy: -21.012572 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -30.107531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.107531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.107531 (E_RNA) where: Base-Base interactions energy: -10.671 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.123 local terms energy: -19.314087 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -30.846796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.846796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.846796 (E_RNA) where: Base-Base interactions energy: -8.432 where: short stacking energy: -8.432 Base-Backbone interact. energy: -0.085 local terms energy: -22.329507 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.246 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: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -38.598207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.598207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.598207 (E_RNA) where: Base-Base interactions energy: -16.310 where: short stacking energy: -16.310 Base-Backbone interact. energy: -0.038 local terms energy: -22.249549 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -1.157 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: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -39.368555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.368555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.368555 (E_RNA) where: Base-Base interactions energy: -16.357 where: short stacking energy: -16.357 Base-Backbone interact. energy: -0.000 local terms energy: -23.011636 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -1.105 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -37.004896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.004896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.004896 (E_RNA) where: Base-Base interactions energy: -16.361 where: short stacking energy: -16.361 Base-Backbone interact. energy: -0.000 local terms energy: -20.643451 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -2.191 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -34.709499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.709499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.709499 (E_RNA) where: Base-Base interactions energy: -8.329 where: short stacking energy: -8.329 Base-Backbone interact. energy: -0.000 local terms energy: -26.380961 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -32.085989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.085989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.085989 (E_RNA) where: Base-Base interactions energy: -9.800 where: short stacking energy: -9.800 Base-Backbone interact. energy: -0.063 local terms energy: -22.223555 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -36.113918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.113918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.113918 (E_RNA) where: Base-Base interactions energy: -12.214 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.047 local terms energy: -23.852695 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -34.410277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.410277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.410277 (E_RNA) where: Base-Base interactions energy: -11.088 where: short stacking energy: -11.088 Base-Backbone interact. energy: -0.080 local terms energy: -23.242432 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -33.286065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.286065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.286065 (E_RNA) where: Base-Base interactions energy: -13.584 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.000 local terms energy: -19.701921 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -3.486 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -1.114 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -31.644235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644235 (E_RNA) where: Base-Base interactions energy: -8.977 where: short stacking energy: -8.977 Base-Backbone interact. energy: -0.031 local terms energy: -22.636753 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -28.325529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.325529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.325529 (E_RNA) where: Base-Base interactions energy: -8.827 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.026 local terms energy: -19.472855 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -3.865 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: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -39.608865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.608865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.608865 (E_RNA) where: Base-Base interactions energy: -14.334 where: short stacking energy: -14.334 Base-Backbone interact. energy: -0.030 local terms energy: -25.244816 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -2.107 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: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -35.625161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.625161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.625161 (E_RNA) where: Base-Base interactions energy: -12.778 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.110 local terms energy: -22.737280 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -38.788164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.788164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.788164 (E_RNA) where: Base-Base interactions energy: -14.821 where: short stacking energy: -14.821 Base-Backbone interact. energy: -0.002 local terms energy: -23.965111 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.713 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: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -37.054944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.054944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.054944 (E_RNA) where: Base-Base interactions energy: -13.829 where: short stacking energy: -13.829 Base-Backbone interact. energy: -0.000 local terms energy: -23.226127 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -38.430385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.430385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.430385 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -14.441 Base-Backbone interact. energy: -0.010 local terms energy: -23.979256 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -3.240 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: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -32.795889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.795889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.795889 (E_RNA) where: Base-Base interactions energy: -7.720 where: short stacking energy: -7.720 Base-Backbone interact. energy: -0.043 local terms energy: -25.033106 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -3.740 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: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -29.179082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.179082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.179082 (E_RNA) where: Base-Base interactions energy: -9.000 where: short stacking energy: -9.000 Base-Backbone interact. energy: -0.093 local terms energy: -20.086063 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -25.199404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.199404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.199404 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.067 local terms energy: -16.952454 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: 2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -31.886107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.886107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.886107 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.011 local terms energy: -19.550384 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -28.172079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.172079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.172079 (E_RNA) where: Base-Base interactions energy: -7.299 where: short stacking energy: -7.299 Base-Backbone interact. energy: -0.031 local terms energy: -20.842006 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.194 flat angles P-C4'-P energy: -3.920 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: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -37.641674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.641674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.641674 (E_RNA) where: Base-Base interactions energy: -12.866 where: short stacking energy: -12.866 Base-Backbone interact. energy: 0.545 local terms energy: -25.320595 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -40.336059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.336059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.336059 (E_RNA) where: Base-Base interactions energy: -14.077 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.033 local terms energy: -26.225810 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -39.303020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.303020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.303020 (E_RNA) where: Base-Base interactions energy: -15.095 where: short stacking energy: -15.095 Base-Backbone interact. energy: -0.003 local terms energy: -24.204759 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -4.617 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: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -36.231017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.231017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.231017 (E_RNA) where: Base-Base interactions energy: -13.349 where: short stacking energy: -13.349 Base-Backbone interact. energy: -0.268 local terms energy: -22.613612 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.356 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: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -33.054396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.054396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.054396 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.030 local terms energy: -21.949513 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -3.313 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: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -34.321283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.321283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.321283 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.000 local terms energy: -22.638134 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.298 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -27.359731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.359731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.359731 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.100 local terms energy: -16.728541 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -0.619 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -3.028 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: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -31.195840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.195840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.195840 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.012 local terms energy: -21.052037 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.433 flat angles P-C4'-P energy: -1.020 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -32.088850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.088850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.088850 (E_RNA) where: Base-Base interactions energy: -13.340 where: short stacking energy: -13.340 Base-Backbone interact. energy: -0.000 local terms energy: -18.748810 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -3.896 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -1.184 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: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -29.024649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.024649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.024649 (E_RNA) where: Base-Base interactions energy: -9.378 where: short stacking energy: -9.022 Base-Backbone interact. energy: -0.000 local terms energy: -19.646843 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -3.870 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.094 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: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -42.877629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.877629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.877629 (E_RNA) where: Base-Base interactions energy: -15.027 where: short stacking energy: -15.027 Base-Backbone interact. energy: -0.000 local terms energy: -27.850535 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -39.878574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.878574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.878574 (E_RNA) where: Base-Base interactions energy: -13.663 where: short stacking energy: -13.663 Base-Backbone interact. energy: -0.074 local terms energy: -26.141781 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -5.692 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: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -38.569144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.569144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.569144 (E_RNA) where: Base-Base interactions energy: -13.612 where: short stacking energy: -13.612 Base-Backbone interact. energy: -0.022 local terms energy: -24.934632 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -30.799984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799984 (E_RNA) where: Base-Base interactions energy: -8.089 where: short stacking energy: -8.089 Base-Backbone interact. energy: -0.010 local terms energy: -22.700603 where: bonds (distance) C4'-P energy: -4.406 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -37.082446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082446 (E_RNA) where: Base-Base interactions energy: -12.743 where: short stacking energy: -12.743 Base-Backbone interact. energy: -0.000 local terms energy: -24.339538 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -36.631233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.631233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.631233 (E_RNA) where: Base-Base interactions energy: -11.751 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.001 local terms energy: -24.879549 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -31.467953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.467953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.467953 (E_RNA) where: Base-Base interactions energy: -10.517 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.027 local terms energy: -20.923730 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -28.903055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.903055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.903055 (E_RNA) where: Base-Base interactions energy: -8.693 where: short stacking energy: -8.693 Base-Backbone interact. energy: -0.098 local terms energy: -20.112480 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -0.027 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -26.789980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.789980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.789980 (E_RNA) where: Base-Base interactions energy: -11.004 where: short stacking energy: -11.004 Base-Backbone interact. energy: -0.092 local terms energy: -15.694140 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -0.827 flat angles P-C4'-P energy: -2.980 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: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -29.240694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.240694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.240694 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.033 local terms energy: -21.323871 where: bonds (distance) C4'-P energy: -3.009 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -4.139 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: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -37.709947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.709947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.709947 (E_RNA) where: Base-Base interactions energy: -14.272 where: short stacking energy: -14.272 Base-Backbone interact. energy: -0.024 local terms energy: -23.414347 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -3.349 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: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -44.010360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.010360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.010360 (E_RNA) where: Base-Base interactions energy: -16.695 where: short stacking energy: -16.695 Base-Backbone interact. energy: -0.000 local terms energy: -27.315030 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -3.342 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: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -38.088456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.088456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.088456 (E_RNA) where: Base-Base interactions energy: -9.568 where: short stacking energy: -9.568 Base-Backbone interact. energy: -0.000 local terms energy: -28.520796 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -32.189027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.189027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.189027 (E_RNA) where: Base-Base interactions energy: -9.515 where: short stacking energy: -9.515 Base-Backbone interact. energy: -0.024 local terms energy: -22.649799 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -1.913 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: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -30.912370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.912370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.912370 (E_RNA) where: Base-Base interactions energy: -12.025 where: short stacking energy: -12.025 Base-Backbone interact. energy: -0.017 local terms energy: -18.870989 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -1.789 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -35.267373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267373 (E_RNA) where: Base-Base interactions energy: -11.910 where: short stacking energy: -11.910 Base-Backbone interact. energy: -0.000 local terms energy: -23.356943 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.133 flat angles P-C4'-P energy: -1.669 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -32.652358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.652358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.652358 (E_RNA) where: Base-Base interactions energy: -12.859 where: short stacking energy: -12.859 Base-Backbone interact. energy: -0.167 local terms energy: -19.625936 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -4.304 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -0.549 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -29.541079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.541079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.541079 (E_RNA) where: Base-Base interactions energy: -9.336 where: short stacking energy: -9.336 Base-Backbone interact. energy: -0.000 local terms energy: -20.204885 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.032 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: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -33.844432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.844432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.844432 (E_RNA) where: Base-Base interactions energy: -8.745 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.000 local terms energy: -25.099274 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -26.498017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.498017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.498017 (E_RNA) where: Base-Base interactions energy: -5.984 where: short stacking energy: -5.984 Base-Backbone interact. energy: -0.019 local terms energy: -20.494891 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: 1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -36.633392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.633392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.633392 (E_RNA) where: Base-Base interactions energy: -14.716 where: short stacking energy: -14.739 Base-Backbone interact. energy: -0.016 local terms energy: -21.901685 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: 1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -37.856895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856895 (E_RNA) where: Base-Base interactions energy: -14.862 where: short stacking energy: -14.862 Base-Backbone interact. energy: -0.021 local terms energy: -22.973742 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -4.107 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: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -42.298044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.298044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.298044 (E_RNA) where: Base-Base interactions energy: -18.461 where: short stacking energy: -18.461 Base-Backbone interact. energy: -0.000 local terms energy: -23.836690 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -40.500270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.500270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.500270 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.003 local terms energy: -27.783178 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -5.235 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: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -34.463468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463468 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.009 local terms energy: -21.944178 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.494 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: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -30.462268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.462268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.462268 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -9.952 Base-Backbone interact. energy: -0.000 local terms energy: -20.509633 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: 0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -34.241302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.241302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.241302 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.012 local terms energy: -23.084605 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -33.617759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.617759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.617759 (E_RNA) where: Base-Base interactions energy: -10.771 where: short stacking energy: -10.771 Base-Backbone interact. energy: -0.032 local terms energy: -22.815261 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -30.466601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.466601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.466601 (E_RNA) where: Base-Base interactions energy: -8.489 where: short stacking energy: -8.489 Base-Backbone interact. energy: -0.003 local terms energy: -21.974773 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -1.107 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -27.701895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.701895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.701895 (E_RNA) where: Base-Base interactions energy: -5.579 where: short stacking energy: -5.579 Base-Backbone interact. energy: -0.020 local terms energy: -22.102744 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -43.433640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.433640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.433640 (E_RNA) where: Base-Base interactions energy: -15.912 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.002 local terms energy: -27.520027 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.925 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: 2, replica: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -36.197948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.197948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.197948 (E_RNA) where: Base-Base interactions energy: -13.669 where: short stacking energy: -13.669 Base-Backbone interact. energy: -0.007 local terms energy: -22.521720 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -1.983 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -34.939752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.939752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.939752 (E_RNA) where: Base-Base interactions energy: -12.749 where: short stacking energy: -12.749 Base-Backbone interact. energy: 0.009 local terms energy: -22.199942 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -1.957 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: 4, replica: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -36.516617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.516617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.516617 (E_RNA) where: Base-Base interactions energy: -12.794 where: short stacking energy: -13.394 Base-Backbone interact. energy: -0.000 local terms energy: -23.722684 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.073 flat angles P-C4'-P energy: -3.671 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: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -37.198318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.198318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.198318 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -11.360 Base-Backbone interact. energy: -0.000 local terms energy: -25.838187 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.104 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: 6, replica: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -34.088995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.088995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.088995 (E_RNA) where: Base-Base interactions energy: -11.741 where: short stacking energy: -11.741 Base-Backbone interact. energy: -0.065 local terms energy: -22.283975 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -27.885640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.885640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.885640 (E_RNA) where: Base-Base interactions energy: -8.952 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.000 local terms energy: -18.933123 where: bonds (distance) C4'-P energy: -3.203 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -4.519 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: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -30.322029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.322029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.322029 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.505 Base-Backbone interact. energy: -0.070 local terms energy: -21.746527 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -3.962 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: 9, replica: 4 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -27.489717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.489717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.489717 (E_RNA) where: Base-Base interactions energy: -12.564 where: short stacking energy: -12.564 Base-Backbone interact. energy: -0.000 local terms energy: -14.925336 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -1.402 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -29.521322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.521322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.521322 (E_RNA) where: Base-Base interactions energy: -7.669 where: short stacking energy: -7.669 Base-Backbone interact. energy: -0.038 local terms energy: -21.813715 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -39.992943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.992943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.992943 (E_RNA) where: Base-Base interactions energy: -13.423 where: short stacking energy: -13.423 Base-Backbone interact. energy: -0.000 local terms energy: -26.569584 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -38.114509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.114509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.114509 (E_RNA) where: Base-Base interactions energy: -14.889 where: short stacking energy: -14.889 Base-Backbone interact. energy: -0.004 local terms energy: -23.221251 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -35.945238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.945238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.945238 (E_RNA) where: Base-Base interactions energy: -13.993 where: short stacking energy: -13.993 Base-Backbone interact. energy: -0.001 local terms energy: -21.950746 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -37.901296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.901296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.901296 (E_RNA) where: Base-Base interactions energy: -15.062 where: short stacking energy: -15.062 Base-Backbone interact. energy: -0.032 local terms energy: -22.808119 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.116 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: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -31.986010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.986010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.986010 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.098 local terms energy: -19.965886 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -31.504911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.504911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.504911 (E_RNA) where: Base-Base interactions energy: -10.225 where: short stacking energy: -10.225 Base-Backbone interact. energy: -0.081 local terms energy: -21.199022 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -34.046208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.046208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.046208 (E_RNA) where: Base-Base interactions energy: -9.573 where: short stacking energy: -9.573 Base-Backbone interact. energy: -0.006 local terms energy: -24.466487 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -36.843692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.843692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.843692 (E_RNA) where: Base-Base interactions energy: -13.333 where: short stacking energy: -13.333 Base-Backbone interact. energy: -0.014 local terms energy: -23.496170 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.437 flat angles P-C4'-P energy: -4.827 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: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -28.942156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.942156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.942156 (E_RNA) where: Base-Base interactions energy: -3.903 where: short stacking energy: -3.903 Base-Backbone interact. energy: -1.824 local terms energy: -23.215653 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -30.733196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.733196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.733196 (E_RNA) where: Base-Base interactions energy: -9.036 where: short stacking energy: -9.036 Base-Backbone interact. energy: -0.002 local terms energy: -21.695433 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -42.130769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.130769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.130769 (E_RNA) where: Base-Base interactions energy: -13.861 where: short stacking energy: -13.861 Base-Backbone interact. energy: -0.000 local terms energy: -28.269480 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -42.373125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.373125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.373125 (E_RNA) where: Base-Base interactions energy: -13.767 where: short stacking energy: -13.767 Base-Backbone interact. energy: -0.001 local terms energy: -28.605309 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -4.928 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: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -36.444983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444983 (E_RNA) where: Base-Base interactions energy: -12.676 where: short stacking energy: -12.676 Base-Backbone interact. energy: -0.083 local terms energy: -23.685903 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -3.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -38.827748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.827748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.827748 (E_RNA) where: Base-Base interactions energy: -14.715 where: short stacking energy: -14.715 Base-Backbone interact. energy: -0.093 local terms energy: -24.019434 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.726 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: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -32.137445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.137445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.137445 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.110 local terms energy: -23.121172 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -33.831507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.831507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.831507 (E_RNA) where: Base-Base interactions energy: -11.465 where: short stacking energy: -11.465 Base-Backbone interact. energy: -0.000 local terms energy: -22.366690 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -3.527 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: 7, replica: 4 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -32.638113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.638113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.638113 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.001 local terms energy: -21.364029 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -1.418 flat angles P-C4'-P energy: -3.556 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: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -30.713597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.713597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.713597 (E_RNA) where: Base-Base interactions energy: -9.221 where: short stacking energy: -9.221 Base-Backbone interact. energy: -0.008 local terms energy: -21.484692 where: bonds (distance) C4'-P energy: -3.295 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -5.183 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: 9, replica: 5 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -28.074342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.074342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.074342 (E_RNA) where: Base-Base interactions energy: -7.041 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.093 local terms energy: -20.940319 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: 0.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -31.476461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.476461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.476461 (E_RNA) where: Base-Base interactions energy: -13.302 where: short stacking energy: -13.302 Base-Backbone interact. energy: -0.061 local terms energy: -18.113321 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -41.809102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.809102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.809102 (E_RNA) where: Base-Base interactions energy: -17.993 where: short stacking energy: -17.993 Base-Backbone interact. energy: -0.051 local terms energy: -23.764695 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -1.799 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -36.354741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.354741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.354741 (E_RNA) where: Base-Base interactions energy: -13.138 where: short stacking energy: -13.138 Base-Backbone interact. energy: -0.100 local terms energy: -23.116773 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -34.286133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.286133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.286133 (E_RNA) where: Base-Base interactions energy: -9.651 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.092 local terms energy: -24.542925 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -37.309510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.309510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.309510 (E_RNA) where: Base-Base interactions energy: -13.602 where: short stacking energy: -13.602 Base-Backbone interact. energy: -0.000 local terms energy: -23.707382 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -2.899 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: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -36.387053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.387053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.387053 (E_RNA) where: Base-Base interactions energy: -13.374 where: short stacking energy: -13.374 Base-Backbone interact. energy: -0.044 local terms energy: -22.969309 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -34.300519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.300519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.300519 (E_RNA) where: Base-Base interactions energy: -14.801 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.011 local terms energy: -19.488871 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -2.242 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -31.883863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.883863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.883863 (E_RNA) where: Base-Base interactions energy: -10.885 where: short stacking energy: -10.885 Base-Backbone interact. energy: -0.062 local terms energy: -20.936754 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -3.899 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: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -33.881804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.881804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.881804 (E_RNA) where: Base-Base interactions energy: -12.653 where: short stacking energy: -12.653 Base-Backbone interact. energy: -0.001 local terms energy: -21.228147 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -4.788 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -3.841 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: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -28.475491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.475491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.475491 (E_RNA) where: Base-Base interactions energy: -9.088 where: short stacking energy: -9.088 Base-Backbone interact. energy: -0.087 local terms energy: -19.299903 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -27.581083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.581083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.581083 (E_RNA) where: Base-Base interactions energy: -8.559 where: short stacking energy: -8.559 Base-Backbone interact. energy: -0.000 local terms energy: -19.022266 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: 0.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -41.440765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.440765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.440765 (E_RNA) where: Base-Base interactions energy: -12.740 where: short stacking energy: -12.740 Base-Backbone interact. energy: -0.000 local terms energy: -28.700541 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -5.878 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: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -46.333170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.333170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.333170 (E_RNA) where: Base-Base interactions energy: -17.428 where: short stacking energy: -17.428 Base-Backbone interact. energy: -0.000 local terms energy: -28.905388 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -6.198 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: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -40.483833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.483833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.483833 (E_RNA) where: Base-Base interactions energy: -12.933 where: short stacking energy: -12.933 Base-Backbone interact. energy: -0.000 local terms energy: -27.550738 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -40.243767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.243767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.243767 (E_RNA) where: Base-Base interactions energy: -13.545 where: short stacking energy: -13.545 Base-Backbone interact. energy: -0.081 local terms energy: -26.617238 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -5.382 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: 64 Temperature: 1.100000 Total energy: -38.131187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.131187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.131187 (E_RNA) where: Base-Base interactions energy: -13.240 where: short stacking energy: -13.240 Base-Backbone interact. energy: -0.000 local terms energy: -24.891563 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -34.928821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.928821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.928821 (E_RNA) where: Base-Base interactions energy: -13.627 where: short stacking energy: -13.627 Base-Backbone interact. energy: -0.001 local terms energy: -21.301183 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -0.148 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -30.403737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.403737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.403737 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.000 local terms energy: -19.956489 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -33.454931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.454931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.454931 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.025 local terms energy: -19.907888 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -3.317 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -3.076 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: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -31.773121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773121 (E_RNA) where: Base-Base interactions energy: -10.168 where: short stacking energy: -10.168 Base-Backbone interact. energy: -0.005 local terms energy: -21.600456 where: bonds (distance) C4'-P energy: -2.438 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -5.105 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: 1 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -30.644064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.644064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.644064 (E_RNA) where: Base-Base interactions energy: -11.559 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.065 local terms energy: -19.020557 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.959 flat angles P-C4'-P energy: -4.642 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: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -35.775480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.775480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.775480 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.058 local terms energy: -22.736020 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -3.030 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: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -32.909065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.909065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.909065 (E_RNA) where: Base-Base interactions energy: -12.049 where: short stacking energy: -12.049 Base-Backbone interact. energy: -0.062 local terms energy: -20.797972 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -3.429 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: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -38.489436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.489436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.489436 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.000 local terms energy: -25.903729 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -4.357 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: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -39.937595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.937595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.937595 (E_RNA) where: Base-Base interactions energy: -15.689 where: short stacking energy: -15.689 Base-Backbone interact. energy: -0.012 local terms energy: -24.236570 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -3.624 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: 5, replica: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -32.594520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594520 (E_RNA) where: Base-Base interactions energy: -13.817 where: short stacking energy: -13.817 Base-Backbone interact. energy: -0.031 local terms energy: -18.746676 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -1.466 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -35.542597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.542597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.542597 (E_RNA) where: Base-Base interactions energy: -13.249 where: short stacking energy: -13.249 Base-Backbone interact. energy: -0.005 local terms energy: -22.288695 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.329 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: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -35.216725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.216725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.216725 (E_RNA) where: Base-Base interactions energy: -11.566 where: short stacking energy: -11.566 Base-Backbone interact. energy: -0.060 local terms energy: -23.590888 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.425 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: 8, replica: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -27.090295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.090295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.090295 (E_RNA) where: Base-Base interactions energy: -6.550 where: short stacking energy: -6.550 Base-Backbone interact. energy: -0.005 local terms energy: -20.535214 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.442 flat angles P-C4'-P energy: -4.409 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: 9, replica: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -30.687486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.687486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.687486 (E_RNA) where: Base-Base interactions energy: -9.216 where: short stacking energy: -9.216 Base-Backbone interact. energy: -0.005 local terms energy: -21.466767 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -5.422 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: 10, replica: 1 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -32.235346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.235346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.235346 (E_RNA) where: Base-Base interactions energy: -8.663 where: short stacking energy: -8.663 Base-Backbone interact. energy: -0.040 local terms energy: -23.532245 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -37.368038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.368038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.368038 (E_RNA) where: Base-Base interactions energy: -14.565 where: short stacking energy: -12.630 Base-Backbone interact. energy: 0.372 local terms energy: -23.174758 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -2.345 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: 2, replica: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -42.406269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.406269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.406269 (E_RNA) where: Base-Base interactions energy: -17.979 where: short stacking energy: -17.979 Base-Backbone interact. energy: -0.000 local terms energy: -24.427009 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.699 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: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -37.184476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.184476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.184476 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -12.986 Base-Backbone interact. energy: -0.000 local terms energy: -24.198017 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -1.885 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -38.184280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.184280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.184280 (E_RNA) where: Base-Base interactions energy: -14.113 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.007 local terms energy: -24.063984 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -35.862327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.862327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.862327 (E_RNA) where: Base-Base interactions energy: -12.398 where: short stacking energy: -12.398 Base-Backbone interact. energy: -0.022 local terms energy: -23.442632 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -1.205 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: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -34.873503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873503 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.000 local terms energy: -22.334003 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -29.294272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.294272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.294272 (E_RNA) where: Base-Base interactions energy: -9.430 where: short stacking energy: -9.430 Base-Backbone interact. energy: -0.099 local terms energy: -19.765548 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -3.058 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -0.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -35.561936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.561936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.561936 (E_RNA) where: Base-Base interactions energy: -13.332 where: short stacking energy: -13.332 Base-Backbone interact. energy: -0.003 local terms energy: -22.227234 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -27.431003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.431003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.431003 (E_RNA) where: Base-Base interactions energy: -8.065 where: short stacking energy: -8.065 Base-Backbone interact. energy: -0.000 local terms energy: -19.366149 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -31.101145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.101145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.101145 (E_RNA) where: Base-Base interactions energy: -12.636 where: short stacking energy: -12.636 Base-Backbone interact. energy: -0.043 local terms energy: -18.422175 where: bonds (distance) C4'-P energy: -2.989 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -2.508 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: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -40.575732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.575732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.575732 (E_RNA) where: Base-Base interactions energy: -13.291 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.000 local terms energy: -27.284645 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -34.564589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.564589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.564589 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -14.378 Base-Backbone interact. energy: -0.002 local terms energy: -20.772026 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -1.429 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -38.142225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.142225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.142225 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.000 local terms energy: -24.283296 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.142 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: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -36.143676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.143676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.143676 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.000 local terms energy: -26.545282 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -34.750372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.750372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.750372 (E_RNA) where: Base-Base interactions energy: -13.815 where: short stacking energy: -13.815 Base-Backbone interact. energy: -0.099 local terms energy: -20.836574 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -1.386 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: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -36.119383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.119383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.119383 (E_RNA) where: Base-Base interactions energy: -12.722 where: short stacking energy: -12.722 Base-Backbone interact. energy: -0.002 local terms energy: -23.395686 where: bonds (distance) C4'-P energy: -3.266 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -5.416 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: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -29.268090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.268090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.268090 (E_RNA) where: Base-Base interactions energy: -9.248 where: short stacking energy: -9.248 Base-Backbone interact. energy: -0.029 local terms energy: -19.991517 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -33.297408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.297408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.297408 (E_RNA) where: Base-Base interactions energy: -11.431 where: short stacking energy: -11.431 Base-Backbone interact. energy: -0.012 local terms energy: -21.854439 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -2.682 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: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -28.646440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.646440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.646440 (E_RNA) where: Base-Base interactions energy: -10.466 where: short stacking energy: -10.466 Base-Backbone interact. energy: -0.002 local terms energy: -18.178239 where: bonds (distance) C4'-P energy: -0.368 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -32.070810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.070810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.070810 (E_RNA) where: Base-Base interactions energy: -12.321 where: short stacking energy: -9.233 Base-Backbone interact. energy: -0.026 local terms energy: -19.723626 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -40.108484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.108484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.108484 (E_RNA) where: Base-Base interactions energy: -13.944 where: short stacking energy: -13.944 Base-Backbone interact. energy: 0.216 local terms energy: -26.380183 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -38.180545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.180545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.180545 (E_RNA) where: Base-Base interactions energy: -13.731 where: short stacking energy: -13.731 Base-Backbone interact. energy: -0.000 local terms energy: -24.449932 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.345 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -3.777 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: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -33.557002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.557002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.557002 (E_RNA) where: Base-Base interactions energy: -14.076 where: short stacking energy: -14.076 Base-Backbone interact. energy: -0.000 local terms energy: -19.480987 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -3.970 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: 4, replica: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -33.718708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.718708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.718708 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.049 local terms energy: -22.627276 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -35.533447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.533447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.533447 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.000 local terms energy: -23.870595 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -30.621821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.621821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.621821 (E_RNA) where: Base-Base interactions energy: -8.875 where: short stacking energy: -8.875 Base-Backbone interact. energy: -0.067 local terms energy: -21.680078 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -33.147878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147878 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: -0.001 local terms energy: -19.947877 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.139 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: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -30.040993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040993 (E_RNA) where: Base-Base interactions energy: -10.051 where: short stacking energy: -10.051 Base-Backbone interact. energy: -0.000 local terms energy: -19.989424 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.869 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -32.572373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572373 (E_RNA) where: Base-Base interactions energy: -12.967 where: short stacking energy: -12.967 Base-Backbone interact. energy: -0.000 local terms energy: -19.605631 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.745 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -27.782993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.782993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.782993 (E_RNA) where: Base-Base interactions energy: -6.579 where: short stacking energy: -6.579 Base-Backbone interact. energy: -0.086 local terms energy: -21.117962 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -3.734 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -39.751162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.751162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.751162 (E_RNA) where: Base-Base interactions energy: -14.731 where: short stacking energy: -14.731 Base-Backbone interact. energy: -0.016 local terms energy: -25.004851 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -35.453573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.453573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.453573 (E_RNA) where: Base-Base interactions energy: -11.067 where: short stacking energy: -11.067 Base-Backbone interact. energy: -0.100 local terms energy: -24.286762 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -42.668255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.668255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.668255 (E_RNA) where: Base-Base interactions energy: -18.266 where: short stacking energy: -18.266 Base-Backbone interact. energy: -0.000 local terms energy: -24.402022 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -4.697 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: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -37.945839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.945839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.945839 (E_RNA) where: Base-Base interactions energy: -12.503 where: short stacking energy: -12.503 Base-Backbone interact. energy: -0.065 local terms energy: -25.377578 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.564 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: 5, replica: 9 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -35.855113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.855113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.855113 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.053 local terms energy: -19.412095 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -30.265910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.265910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.265910 (E_RNA) where: Base-Base interactions energy: -7.635 where: short stacking energy: -7.635 Base-Backbone interact. energy: -0.125 local terms energy: -22.505903 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -29.860385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.860385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.860385 (E_RNA) where: Base-Base interactions energy: -7.847 where: short stacking energy: -7.847 Base-Backbone interact. energy: -0.000 local terms energy: -22.013566 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.562 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: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -32.886709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.886709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.886709 (E_RNA) where: Base-Base interactions energy: -11.039 where: short stacking energy: -11.039 Base-Backbone interact. energy: -0.014 local terms energy: -21.833296 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -27.169588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.169588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.169588 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.004 local terms energy: -17.845960 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -27.923987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.923987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.923987 (E_RNA) where: Base-Base interactions energy: -8.566 where: short stacking energy: -8.566 Base-Backbone interact. energy: -0.001 local terms energy: -19.357554 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.316 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -41.452941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.452941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.452941 (E_RNA) where: Base-Base interactions energy: -16.115 where: short stacking energy: -16.115 Base-Backbone interact. energy: -0.000 local terms energy: -25.337287 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -3.321 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: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -39.826064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.826064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.826064 (E_RNA) where: Base-Base interactions energy: -15.748 where: short stacking energy: -15.748 Base-Backbone interact. energy: -0.000 local terms energy: -24.078171 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -32.185141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.185141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.185141 (E_RNA) where: Base-Base interactions energy: -9.991 where: short stacking energy: -9.991 Base-Backbone interact. energy: -0.040 local terms energy: -22.153903 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -2.017 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -33.329046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.329046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.329046 (E_RNA) where: Base-Base interactions energy: -9.705 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.013 local terms energy: -23.611419 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -31.728424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.728424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.728424 (E_RNA) where: Base-Base interactions energy: -7.279 where: short stacking energy: -7.279 Base-Backbone interact. energy: -0.019 local terms energy: -24.430552 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -3.556 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: 6, replica: 9 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -35.094837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.094837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.094837 (E_RNA) where: Base-Base interactions energy: -10.293 where: short stacking energy: -10.293 Base-Backbone interact. energy: -0.035 local terms energy: -24.766408 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.233 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: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -29.888627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.888627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.888627 (E_RNA) where: Base-Base interactions energy: -8.143 where: short stacking energy: -8.659 Base-Backbone interact. energy: -0.152 local terms energy: -21.593355 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -33.315549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.315549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.315549 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.001 local terms energy: -21.160566 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -32.446134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.446134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.446134 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -13.190 Base-Backbone interact. energy: -0.003 local terms energy: -19.554484 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -31.084119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.084119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.084119 (E_RNA) where: Base-Base interactions energy: -13.416 where: short stacking energy: -13.416 Base-Backbone interact. energy: -0.033 local terms energy: -17.634997 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -2.574 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -38.599055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.599055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.599055 (E_RNA) where: Base-Base interactions energy: -14.208 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.015 local terms energy: -24.376184 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.051 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: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -39.943597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.943597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.943597 (E_RNA) where: Base-Base interactions energy: -17.560 where: short stacking energy: -17.560 Base-Backbone interact. energy: -0.000 local terms energy: -22.383499 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -37.697115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.697115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.697115 (E_RNA) where: Base-Base interactions energy: -14.111 where: short stacking energy: -14.111 Base-Backbone interact. energy: -0.000 local terms energy: -23.586116 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -37.956467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.956467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.956467 (E_RNA) where: Base-Base interactions energy: -13.467 where: short stacking energy: -13.467 Base-Backbone interact. energy: -0.460 local terms energy: -24.030101 where: bonds (distance) C4'-P energy: -2.459 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -35.496369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.496369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.496369 (E_RNA) where: Base-Base interactions energy: -13.046 where: short stacking energy: -13.046 Base-Backbone interact. energy: -0.000 local terms energy: -22.449753 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -3.099 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: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -34.945642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945642 (E_RNA) where: Base-Base interactions energy: -13.155 where: short stacking energy: -13.155 Base-Backbone interact. energy: 0.331 local terms energy: -22.121689 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -2.787 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: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -35.195668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.195668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.195668 (E_RNA) where: Base-Base interactions energy: -11.221 where: short stacking energy: -11.221 Base-Backbone interact. energy: -0.000 local terms energy: -23.974334 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -2.591 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: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -29.727372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.727372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.727372 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.082 local terms energy: -21.604948 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.853 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: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -28.460802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.460802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.460802 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.116 local terms energy: -18.696306 where: bonds (distance) C4'-P energy: -2.508 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -32.699871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.699871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.699871 (E_RNA) where: Base-Base interactions energy: -9.050 where: short stacking energy: -9.050 Base-Backbone interact. energy: -0.000 local terms energy: -23.649194 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -4.805 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: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -38.833811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.833811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.833811 (E_RNA) where: Base-Base interactions energy: -13.771 where: short stacking energy: -13.771 Base-Backbone interact. energy: -0.000 local terms energy: -25.062361 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.815 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: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -36.912655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.912655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.912655 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -13.473 Base-Backbone interact. energy: -0.004 local terms energy: -23.435378 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -35.730672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.730672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.730672 (E_RNA) where: Base-Base interactions energy: -12.722 where: short stacking energy: -12.722 Base-Backbone interact. energy: -0.050 local terms energy: -22.959006 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -37.964205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.964205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.964205 (E_RNA) where: Base-Base interactions energy: -13.440 where: short stacking energy: -13.440 Base-Backbone interact. energy: -0.000 local terms energy: -24.524427 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -32.253737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.253737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.253737 (E_RNA) where: Base-Base interactions energy: -9.477 where: short stacking energy: -9.477 Base-Backbone interact. energy: -0.000 local terms energy: -22.776413 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -33.352834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.352834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.352834 (E_RNA) where: Base-Base interactions energy: -15.665 where: short stacking energy: -15.665 Base-Backbone interact. energy: -0.006 local terms energy: -17.681853 where: bonds (distance) C4'-P energy: -3.137 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -2.547 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: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -34.227037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.227037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.227037 (E_RNA) where: Base-Base interactions energy: -13.218 where: short stacking energy: -13.218 Base-Backbone interact. energy: -0.000 local terms energy: -21.009019 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -4.218 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: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -30.168397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.168397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.168397 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.001 local terms energy: -22.135638 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -32.348095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.348095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.348095 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.078 local terms energy: -23.124883 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -4.912 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -27.332751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.332751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.332751 (E_RNA) where: Base-Base interactions energy: -6.212 where: short stacking energy: -6.212 Base-Backbone interact. energy: -0.001 local terms energy: -21.119689 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -4.360 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: 73 Temperature: 0.900000 Total energy: -40.313250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.313250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.313250 (E_RNA) where: Base-Base interactions energy: -17.652 where: short stacking energy: -17.652 Base-Backbone interact. energy: -0.002 local terms energy: -22.658377 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -38.345700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.345700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.345700 (E_RNA) where: Base-Base interactions energy: -14.750 where: short stacking energy: -14.750 Base-Backbone interact. energy: -0.004 local terms energy: -23.591774 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -3.916 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: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -41.499546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.499546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.499546 (E_RNA) where: Base-Base interactions energy: -17.987 where: short stacking energy: -17.987 Base-Backbone interact. energy: -0.000 local terms energy: -23.512547 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -4.815 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -39.289916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.289916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.289916 (E_RNA) where: Base-Base interactions energy: -17.797 where: short stacking energy: -13.854 Base-Backbone interact. energy: -0.000 local terms energy: -21.492318 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -5.012 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: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -37.138127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.138127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.138127 (E_RNA) where: Base-Base interactions energy: -14.287 where: short stacking energy: -14.287 Base-Backbone interact. energy: -0.004 local terms energy: -22.846781 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.905 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: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -36.595828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.595828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.595828 (E_RNA) where: Base-Base interactions energy: -10.755 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.000 local terms energy: -25.840614 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.356 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: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -32.434949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.434949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.434949 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.000 local terms energy: -21.763043 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -2.119 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -35.524617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.524617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.524617 (E_RNA) where: Base-Base interactions energy: -13.356 where: short stacking energy: -13.356 Base-Backbone interact. energy: -0.000 local terms energy: -22.168553 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -4.061 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -36.044089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.044089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.044089 (E_RNA) where: Base-Base interactions energy: -11.556 where: short stacking energy: -11.556 Base-Backbone interact. energy: -0.002 local terms energy: -24.485820 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.329 flat angles P-C4'-P energy: -4.660 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: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -33.995510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.995510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.995510 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.433 Base-Backbone interact. energy: -0.759 local terms energy: -24.803571 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.724 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: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -36.222852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.222852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.222852 (E_RNA) where: Base-Base interactions energy: -12.620 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.032 local terms energy: -23.570491 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -42.672175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.672175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.672175 (E_RNA) where: Base-Base interactions energy: -16.497 where: short stacking energy: -16.497 Base-Backbone interact. energy: -0.000 local terms energy: -26.174645 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -5.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -35.830371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.830371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.830371 (E_RNA) where: Base-Base interactions energy: -13.576 where: short stacking energy: -13.576 Base-Backbone interact. energy: -0.010 local terms energy: -22.243837 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -40.090523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.090523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.090523 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.099 local terms energy: -26.298313 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -4.805 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: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -37.071412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.071412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.071412 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.021 local terms energy: -23.687265 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.095 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: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -34.095232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.095232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.095232 (E_RNA) where: Base-Base interactions energy: -13.127 where: short stacking energy: -13.127 Base-Backbone interact. energy: -0.014 local terms energy: -20.954592 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -33.327760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.327760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.327760 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -12.901 Base-Backbone interact. energy: 0.595 local terms energy: -21.215132 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -32.693545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.693545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.693545 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.004 local terms energy: -21.380342 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -3.574 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: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -29.295619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.295619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.295619 (E_RNA) where: Base-Base interactions energy: -10.558 where: short stacking energy: -10.558 Base-Backbone interact. energy: -0.011 local terms energy: -18.727215 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -3.802 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: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -30.995885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.995885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.995885 (E_RNA) where: Base-Base interactions energy: -10.036 where: short stacking energy: -10.036 Base-Backbone interact. energy: -0.001 local terms energy: -20.958828 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.490 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: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -37.321987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.321987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.321987 (E_RNA) where: Base-Base interactions energy: -16.112 where: short stacking energy: -16.112 Base-Backbone interact. energy: -0.002 local terms energy: -21.207704 where: bonds (distance) C4'-P energy: -2.474 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -39.443818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.443818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.443818 (E_RNA) where: Base-Base interactions energy: -14.213 where: short stacking energy: -14.213 Base-Backbone interact. energy: -0.006 local terms energy: -25.224177 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -39.434896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.434896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.434896 (E_RNA) where: Base-Base interactions energy: -15.324 where: short stacking energy: -15.324 Base-Backbone interact. energy: -0.000 local terms energy: -24.111282 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.293 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: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -35.226804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.226804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.226804 (E_RNA) where: Base-Base interactions energy: -12.298 where: short stacking energy: -12.298 Base-Backbone interact. energy: -0.000 local terms energy: -22.929022 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.377 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: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -33.122065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.122065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.122065 (E_RNA) where: Base-Base interactions energy: -7.910 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.023 local terms energy: -25.188923 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.640 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: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -30.717180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.717180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.717180 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.050 local terms energy: -21.298530 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: 1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -31.523305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.523305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.523305 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -12.205 Base-Backbone interact. energy: 0.328 local terms energy: -19.646761 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -3.249 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.941 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: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -31.369529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369529 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -8.357 Base-Backbone interact. energy: 0.072 local terms energy: -23.084282 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -2.146 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: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -29.870213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.870213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.870213 (E_RNA) where: Base-Base interactions energy: -12.430 where: short stacking energy: -12.430 Base-Backbone interact. energy: -0.006 local terms energy: -17.433947 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -2.040 tors. eta vs tors. theta energy: -0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -33.210607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210607 (E_RNA) where: Base-Base interactions energy: -12.140 where: short stacking energy: -12.140 Base-Backbone interact. energy: -0.022 local terms energy: -21.049465 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -37.584200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.584200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.584200 (E_RNA) where: Base-Base interactions energy: -12.958 where: short stacking energy: -12.958 Base-Backbone interact. energy: -0.002 local terms energy: -24.624236 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -34.199555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.199555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.199555 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.079 local terms energy: -23.673660 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -36.904155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.904155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.904155 (E_RNA) where: Base-Base interactions energy: -14.721 where: short stacking energy: -14.721 Base-Backbone interact. energy: -0.000 local terms energy: -22.182494 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.005 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -33.452639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.452639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.452639 (E_RNA) where: Base-Base interactions energy: -8.458 where: short stacking energy: -8.458 Base-Backbone interact. energy: -0.002 local terms energy: -24.992279 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -33.769179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.769179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.769179 (E_RNA) where: Base-Base interactions energy: -14.287 where: short stacking energy: -14.287 Base-Backbone interact. energy: -0.109 local terms energy: -19.373164 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: 0.639 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: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -31.723735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.723735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.723735 (E_RNA) where: Base-Base interactions energy: -8.033 where: short stacking energy: -8.033 Base-Backbone interact. energy: -0.000 local terms energy: -23.691026 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -29.706989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.706989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.706989 (E_RNA) where: Base-Base interactions energy: -9.242 where: short stacking energy: -9.242 Base-Backbone interact. energy: -0.012 local terms energy: -20.452581 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -31.617075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.617075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.617075 (E_RNA) where: Base-Base interactions energy: -9.356 where: short stacking energy: -9.356 Base-Backbone interact. energy: -0.100 local terms energy: -22.160699 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -1.714 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -32.624592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.624592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.624592 (E_RNA) where: Base-Base interactions energy: -13.610 where: short stacking energy: -13.610 Base-Backbone interact. energy: -0.009 local terms energy: -19.005353 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -1.593 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -30.154658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.154658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.154658 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.001 local terms energy: -22.216790 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -42.075672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.075672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.075672 (E_RNA) where: Base-Base interactions energy: -13.074 where: short stacking energy: -13.074 Base-Backbone interact. energy: -0.000 local terms energy: -29.002108 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -45.329929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.329929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.329929 (E_RNA) where: Base-Base interactions energy: -17.262 where: short stacking energy: -17.262 Base-Backbone interact. energy: -0.001 local terms energy: -28.066505 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -39.644026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.644026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.644026 (E_RNA) where: Base-Base interactions energy: -15.617 where: short stacking energy: -15.617 Base-Backbone interact. energy: -0.008 local terms energy: -24.018904 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -38.681644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.681644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.681644 (E_RNA) where: Base-Base interactions energy: -12.275 where: short stacking energy: -12.275 Base-Backbone interact. energy: -0.001 local terms energy: -26.404815 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -34.530208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.530208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.530208 (E_RNA) where: Base-Base interactions energy: -9.800 where: short stacking energy: -9.800 Base-Backbone interact. energy: -0.000 local terms energy: -24.730178 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -35.361866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.361866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.361866 (E_RNA) where: Base-Base interactions energy: -9.520 where: short stacking energy: -9.520 Base-Backbone interact. energy: -0.002 local terms energy: -25.839505 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.984 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: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -32.085884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.085884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.085884 (E_RNA) where: Base-Base interactions energy: -12.780 where: short stacking energy: -12.780 Base-Backbone interact. energy: -0.089 local terms energy: -19.217078 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -1.597 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -30.930655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.930655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.930655 (E_RNA) where: Base-Base interactions energy: -12.668 where: short stacking energy: -12.668 Base-Backbone interact. energy: -0.081 local terms energy: -18.181471 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -29.978028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.978028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.978028 (E_RNA) where: Base-Base interactions energy: -11.863 where: short stacking energy: -11.863 Base-Backbone interact. energy: -0.068 local terms energy: -18.046580 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: 0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -27.367342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.367342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.367342 (E_RNA) where: Base-Base interactions energy: -11.000 where: short stacking energy: -10.148 Base-Backbone interact. energy: -0.038 local terms energy: -16.329443 where: bonds (distance) C4'-P energy: -1.606 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -36.000547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.000547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.000547 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.002 local terms energy: -25.219212 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -35.809783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.809783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.809783 (E_RNA) where: Base-Base interactions energy: -12.962 where: short stacking energy: -12.962 Base-Backbone interact. energy: -0.032 local terms energy: -22.816507 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -38.463785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.463785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.463785 (E_RNA) where: Base-Base interactions energy: -14.023 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.000 local terms energy: -24.440414 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -36.519050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.519050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.519050 (E_RNA) where: Base-Base interactions energy: -11.894 where: short stacking energy: -11.894 Base-Backbone interact. energy: -0.002 local terms energy: -24.623275 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -33.164470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.164470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.164470 (E_RNA) where: Base-Base interactions energy: -12.846 where: short stacking energy: -12.846 Base-Backbone interact. energy: -0.000 local terms energy: -20.318003 where: bonds (distance) C4'-P energy: -3.311 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -2.295 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: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -35.660440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.660440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.660440 (E_RNA) where: Base-Base interactions energy: -9.902 where: short stacking energy: -9.902 Base-Backbone interact. energy: -0.000 local terms energy: -25.757870 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -6.861 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: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -30.790989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.790989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.790989 (E_RNA) where: Base-Base interactions energy: -7.683 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.059 local terms energy: -23.049208 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -26.637842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.637842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.637842 (E_RNA) where: Base-Base interactions energy: -7.690 where: short stacking energy: -7.690 Base-Backbone interact. energy: -0.000 local terms energy: -18.948057 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -1.758 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: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -30.765051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.765051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.765051 (E_RNA) where: Base-Base interactions energy: -13.269 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.089 local terms energy: -17.407710 where: bonds (distance) C4'-P energy: -1.598 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -2.640 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: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -29.451430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.451430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.451430 (E_RNA) where: Base-Base interactions energy: -8.574 where: short stacking energy: -8.574 Base-Backbone interact. energy: -0.105 local terms energy: -20.773124 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -42.864051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.864051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.864051 (E_RNA) where: Base-Base interactions energy: -18.015 where: short stacking energy: -18.015 Base-Backbone interact. energy: -0.001 local terms energy: -24.848188 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.564 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -36.367708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.367708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.367708 (E_RNA) where: Base-Base interactions energy: -13.476 where: short stacking energy: -13.476 Base-Backbone interact. energy: -0.031 local terms energy: -22.860922 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -41.115999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.115999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.115999 (E_RNA) where: Base-Base interactions energy: -15.341 where: short stacking energy: -15.341 Base-Backbone interact. energy: -0.000 local terms energy: -25.774743 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -3.073 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: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -39.185701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.185701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.185701 (E_RNA) where: Base-Base interactions energy: -15.282 where: short stacking energy: -15.282 Base-Backbone interact. energy: -0.017 local terms energy: -23.885997 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -40.778422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.778422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.778422 (E_RNA) where: Base-Base interactions energy: -16.844 where: short stacking energy: -16.844 Base-Backbone interact. energy: -0.001 local terms energy: -23.934125 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -31.418948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418948 (E_RNA) where: Base-Base interactions energy: -10.301 where: short stacking energy: -10.301 Base-Backbone interact. energy: -0.000 local terms energy: -21.117363 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -30.172603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.172603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.172603 (E_RNA) where: Base-Base interactions energy: -12.684 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.006 local terms energy: -17.482663 where: bonds (distance) C4'-P energy: -2.786 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.907 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: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -29.559970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.559970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.559970 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.089 Base-Backbone interact. energy: -0.006 local terms energy: -20.464423 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.175 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: 9, replica: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -33.882804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.882804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.882804 (E_RNA) where: Base-Base interactions energy: -11.320 where: short stacking energy: -11.320 Base-Backbone interact. energy: -0.000 local terms energy: -22.562914 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.563 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: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -27.602534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.602534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.602534 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.076 local terms energy: -18.394330 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: 1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -46.182860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.182860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.182860 (E_RNA) where: Base-Base interactions energy: -17.713 where: short stacking energy: -17.713 Base-Backbone interact. energy: -0.004 local terms energy: -28.465544 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -5.000 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: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -42.901449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.901449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.901449 (E_RNA) where: Base-Base interactions energy: -16.894 where: short stacking energy: -16.894 Base-Backbone interact. energy: -0.000 local terms energy: -26.006723 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -3.931 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: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -39.326148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.326148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.326148 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: -0.000 local terms energy: -27.867195 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.464 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: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -35.764404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764404 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.006 local terms energy: -19.691160 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -2.703 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: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -30.511173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.511173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.511173 (E_RNA) where: Base-Base interactions energy: -13.064 where: short stacking energy: -13.064 Base-Backbone interact. energy: -0.016 local terms energy: -17.431043 where: bonds (distance) C4'-P energy: -3.211 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -2.380 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: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -32.520666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.520666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.520666 (E_RNA) where: Base-Base interactions energy: -14.784 where: short stacking energy: -14.784 Base-Backbone interact. energy: -0.001 local terms energy: -17.736118 where: bonds (distance) C4'-P energy: 0.565 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -29.523781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.523781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.523781 (E_RNA) where: Base-Base interactions energy: -8.909 where: short stacking energy: -8.909 Base-Backbone interact. energy: -0.007 local terms energy: -20.607095 where: bonds (distance) C4'-P energy: -3.937 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -32.164956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.164956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.164956 (E_RNA) where: Base-Base interactions energy: -11.705 where: short stacking energy: -11.705 Base-Backbone interact. energy: -0.003 local terms energy: -20.457200 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -31.679029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.679029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.679029 (E_RNA) where: Base-Base interactions energy: -9.502 where: short stacking energy: -9.738 Base-Backbone interact. energy: -0.000 local terms energy: -22.176750 where: bonds (distance) C4'-P energy: -1.304 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -33.089972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.089972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.089972 (E_RNA) where: Base-Base interactions energy: -8.202 where: short stacking energy: -8.202 Base-Backbone interact. energy: -0.000 local terms energy: -24.888335 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -40.751150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.751150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.751150 (E_RNA) where: Base-Base interactions energy: -15.764 where: short stacking energy: -15.764 Base-Backbone interact. energy: -0.000 local terms energy: -24.987093 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -3.969 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: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -35.690926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.690926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.690926 (E_RNA) where: Base-Base interactions energy: -10.292 where: short stacking energy: -10.292 Base-Backbone interact. energy: -0.055 local terms energy: -25.344104 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -37.815878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.815878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.815878 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -17.371 Base-Backbone interact. energy: -0.030 local terms energy: -20.415083 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -3.745 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -37.706669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.706669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.706669 (E_RNA) where: Base-Base interactions energy: -13.023 where: short stacking energy: -13.023 Base-Backbone interact. energy: -0.000 local terms energy: -24.683455 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -32.377037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.377037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.377037 (E_RNA) where: Base-Base interactions energy: -13.402 where: short stacking energy: -13.402 Base-Backbone interact. energy: -0.002 local terms energy: -18.972608 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -2.929 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: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -32.348841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.348841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.348841 (E_RNA) where: Base-Base interactions energy: -13.121 where: short stacking energy: -13.121 Base-Backbone interact. energy: -0.063 local terms energy: -19.164601 where: bonds (distance) C4'-P energy: -3.394 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -32.744509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.744509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.744509 (E_RNA) where: Base-Base interactions energy: -7.489 where: short stacking energy: -7.489 Base-Backbone interact. energy: -0.000 local terms energy: -25.254987 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.333 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: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -34.402187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.402187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.402187 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.029 local terms energy: -21.812712 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -26.986939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.986939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.986939 (E_RNA) where: Base-Base interactions energy: -8.593 where: short stacking energy: -8.593 Base-Backbone interact. energy: -0.004 local terms energy: -18.389241 where: bonds (distance) C4'-P energy: -1.598 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.373 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: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -27.880123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.880123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.880123 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -9.811 Base-Backbone interact. energy: -0.013 local terms energy: -18.056173 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -0.497 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -39.789047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.789047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.789047 (E_RNA) where: Base-Base interactions energy: -16.290 where: short stacking energy: -16.290 Base-Backbone interact. energy: -0.000 local terms energy: -23.498577 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -34.336764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.336764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.336764 (E_RNA) where: Base-Base interactions energy: -12.562 where: short stacking energy: -12.562 Base-Backbone interact. energy: -0.100 local terms energy: -21.674962 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: 0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -37.950852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.950852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.950852 (E_RNA) where: Base-Base interactions energy: -12.991 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.002 local terms energy: -24.957801 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -34.257845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.257845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.257845 (E_RNA) where: Base-Base interactions energy: -12.667 where: short stacking energy: -12.667 Base-Backbone interact. energy: -0.000 local terms energy: -21.591160 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -3.704 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: 5, replica: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -32.640290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.640290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.640290 (E_RNA) where: Base-Base interactions energy: -11.962 where: short stacking energy: -11.962 Base-Backbone interact. energy: -0.004 local terms energy: -20.674644 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -34.461449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.461449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.461449 (E_RNA) where: Base-Base interactions energy: -11.391 where: short stacking energy: -11.391 Base-Backbone interact. energy: -0.006 local terms energy: -23.064349 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -31.799795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.799795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.799795 (E_RNA) where: Base-Base interactions energy: -8.733 where: short stacking energy: -8.733 Base-Backbone interact. energy: -0.002 local terms energy: -23.065078 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -2.003 flat angles P-C4'-P energy: -5.440 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: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -30.083616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.083616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.083616 (E_RNA) where: Base-Base interactions energy: -8.440 where: short stacking energy: -8.638 Base-Backbone interact. energy: -0.000 local terms energy: -21.643715 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -4.268 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: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -33.615317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.615317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.615317 (E_RNA) where: Base-Base interactions energy: -11.442 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.100 local terms energy: -22.073636 where: bonds (distance) C4'-P energy: -4.412 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -4.310 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: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -30.480587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.480587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.480587 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.035 local terms energy: -18.414886 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.367 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -39.737535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.737535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.737535 (E_RNA) where: Base-Base interactions energy: -17.232 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.001 local terms energy: -22.504919 where: bonds (distance) C4'-P energy: -3.481 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.713 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: 2, replica: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -41.605523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.605523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.605523 (E_RNA) where: Base-Base interactions energy: -16.515 where: short stacking energy: -16.515 Base-Backbone interact. energy: -0.025 local terms energy: -25.065871 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -37.985821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.985821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.985821 (E_RNA) where: Base-Base interactions energy: -16.617 where: short stacking energy: -16.617 Base-Backbone interact. energy: -0.014 local terms energy: -21.354660 where: bonds (distance) C4'-P energy: -1.298 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -4.212 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: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -35.361644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.361644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.361644 (E_RNA) where: Base-Base interactions energy: -8.767 where: short stacking energy: -8.767 Base-Backbone interact. energy: -0.003 local terms energy: -26.591643 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -34.512616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.512616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.512616 (E_RNA) where: Base-Base interactions energy: -12.120 where: short stacking energy: -12.120 Base-Backbone interact. energy: -0.053 local terms energy: -22.339430 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: 0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -33.515476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515476 (E_RNA) where: Base-Base interactions energy: -10.156 where: short stacking energy: -10.156 Base-Backbone interact. energy: -0.101 local terms energy: -23.258800 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -32.153477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.153477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.153477 (E_RNA) where: Base-Base interactions energy: -13.636 where: short stacking energy: -13.636 Base-Backbone interact. energy: -0.001 local terms energy: -18.516753 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -31.534074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.534074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.534074 (E_RNA) where: Base-Base interactions energy: -9.646 where: short stacking energy: -9.646 Base-Backbone interact. energy: 0.913 local terms energy: -22.800181 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -30.157301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.157301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.157301 (E_RNA) where: Base-Base interactions energy: -9.199 where: short stacking energy: -9.199 Base-Backbone interact. energy: -0.013 local terms energy: -20.945135 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -2.612 flat angles P-C4'-P energy: -4.926 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: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -31.851552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.851552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.851552 (E_RNA) where: Base-Base interactions energy: -10.710 where: short stacking energy: -10.710 Base-Backbone interact. energy: -0.029 local terms energy: -21.112576 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -2.584 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: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -40.092229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.092229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.092229 (E_RNA) where: Base-Base interactions energy: -17.183 where: short stacking energy: -17.183 Base-Backbone interact. energy: -0.039 local terms energy: -22.869983 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -2.823 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: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -36.227617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.227617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.227617 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: 1.304 local terms energy: -23.940734 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.390 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: 3, replica: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -41.137567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.137567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.137567 (E_RNA) where: Base-Base interactions energy: -16.117 where: short stacking energy: -16.117 Base-Backbone interact. energy: -0.054 local terms energy: -24.966805 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -2.053 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: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -32.052329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.052329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.052329 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.001 local terms energy: -22.507244 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -36.456801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456801 (E_RNA) where: Base-Base interactions energy: -13.492 where: short stacking energy: -13.492 Base-Backbone interact. energy: -0.008 local terms energy: -22.957378 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.166 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -30.739803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.739803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.739803 (E_RNA) where: Base-Base interactions energy: -7.896 where: short stacking energy: -7.896 Base-Backbone interact. energy: -0.066 local terms energy: -22.778341 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -4.054 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -33.786258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.786258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.786258 (E_RNA) where: Base-Base interactions energy: -12.501 where: short stacking energy: -12.501 Base-Backbone interact. energy: -0.050 local terms energy: -21.234997 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -2.373 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: 8, replica: 3 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -29.966634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.966634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.966634 (E_RNA) where: Base-Base interactions energy: -9.666 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.000 local terms energy: -20.300489 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.261 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -30.952484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.952484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.952484 (E_RNA) where: Base-Base interactions energy: -9.513 where: short stacking energy: -9.513 Base-Backbone interact. energy: -0.041 local terms energy: -21.398153 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -25.315173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.315173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.315173 (E_RNA) where: Base-Base interactions energy: -10.649 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.059 local terms energy: -14.607102 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.553 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: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -39.622969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.622969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.622969 (E_RNA) where: Base-Base interactions energy: -12.896 where: short stacking energy: -12.896 Base-Backbone interact. energy: -0.001 local terms energy: -26.725380 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -37.571201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.571201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.571201 (E_RNA) where: Base-Base interactions energy: -12.897 where: short stacking energy: -12.897 Base-Backbone interact. energy: -0.083 local terms energy: -24.590904 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -37.234123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.234123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.234123 (E_RNA) where: Base-Base interactions energy: -17.306 where: short stacking energy: -17.306 Base-Backbone interact. energy: -0.001 local terms energy: -19.926934 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.846 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: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -35.336555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.336555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.336555 (E_RNA) where: Base-Base interactions energy: -12.596 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.000 local terms energy: -22.741005 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -4.165 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: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -32.591111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.591111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.591111 (E_RNA) where: Base-Base interactions energy: -11.419 where: short stacking energy: -11.419 Base-Backbone interact. energy: -0.000 local terms energy: -21.172098 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -2.081 flat angles P-C4'-P energy: -3.712 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: 6, replica: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -35.845546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.845546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.845546 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.086 local terms energy: -23.562987 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -29.947798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.947798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.947798 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -9.619 Base-Backbone interact. energy: -0.110 local terms energy: -20.219030 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: 0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -29.054946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.054946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.054946 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.001 local terms energy: -21.782445 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -30.782170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.782170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.782170 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.917 local terms energy: -21.029075 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -2.597 flat angles P-C4'-P energy: -4.053 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: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -27.908788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.908788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.908788 (E_RNA) where: Base-Base interactions energy: -5.669 where: short stacking energy: -5.669 Base-Backbone interact. energy: -0.000 local terms energy: -22.239054 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -36.908238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.908238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.908238 (E_RNA) where: Base-Base interactions energy: -14.028 where: short stacking energy: -14.028 Base-Backbone interact. energy: -0.112 local terms energy: -22.767941 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -36.999453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.999453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.999453 (E_RNA) where: Base-Base interactions energy: -13.282 where: short stacking energy: -13.282 Base-Backbone interact. energy: -0.030 local terms energy: -23.687699 where: bonds (distance) C4'-P energy: -3.704 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -37.424586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.424586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.424586 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.000 local terms energy: -27.178230 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -33.432783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.432783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.432783 (E_RNA) where: Base-Base interactions energy: -12.519 where: short stacking energy: -12.519 Base-Backbone interact. energy: -0.098 local terms energy: -20.815729 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -37.622638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.622638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.622638 (E_RNA) where: Base-Base interactions energy: -11.826 where: short stacking energy: -11.826 Base-Backbone interact. energy: -0.000 local terms energy: -25.796363 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -35.256225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.256225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.256225 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.000 local terms energy: -24.513190 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -31.479554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.479554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.479554 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.076 local terms energy: -21.620364 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -30.141732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.141732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.141732 (E_RNA) where: Base-Base interactions energy: -8.548 where: short stacking energy: -8.548 Base-Backbone interact. energy: -0.002 local terms energy: -21.591936 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.175 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: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -35.527072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.527072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.527072 (E_RNA) where: Base-Base interactions energy: -12.744 where: short stacking energy: -12.744 Base-Backbone interact. energy: -0.000 local terms energy: -22.783381 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.130 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: 3 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -32.698636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.698636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.698636 (E_RNA) where: Base-Base interactions energy: -8.745 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.002 local terms energy: -23.950999 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -5.648 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: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -39.055140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.055140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.055140 (E_RNA) where: Base-Base interactions energy: -13.971 where: short stacking energy: -13.971 Base-Backbone interact. energy: -0.751 local terms energy: -24.333303 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -5.286 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: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -41.231674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.231674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.231674 (E_RNA) where: Base-Base interactions energy: -14.611 where: short stacking energy: -14.339 Base-Backbone interact. energy: -0.002 local terms energy: -26.618037 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -5.154 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: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -35.101048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.101048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.101048 (E_RNA) where: Base-Base interactions energy: -11.996 where: short stacking energy: -11.996 Base-Backbone interact. energy: -0.079 local terms energy: -23.025419 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: 0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -39.269179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.269179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.269179 (E_RNA) where: Base-Base interactions energy: -15.335 where: short stacking energy: -15.335 Base-Backbone interact. energy: -0.084 local terms energy: -23.850648 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -2.147 tors. eta vs tors. theta energy: -5.576 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: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -38.305575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.305575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.305575 (E_RNA) where: Base-Base interactions energy: -13.563 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.002 local terms energy: -24.739694 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -1.528 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: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -32.237676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.237676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.237676 (E_RNA) where: Base-Base interactions energy: -11.531 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.072 local terms energy: -20.634440 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.960 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -34.198635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.198635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.198635 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.047 local terms energy: -21.086017 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -1.487 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: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -35.379796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.379796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.379796 (E_RNA) where: Base-Base interactions energy: -10.552 where: short stacking energy: -10.552 Base-Backbone interact. energy: -0.100 local terms energy: -24.727383 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -30.570999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.570999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.570999 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.000 local terms energy: -22.479327 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -26.713088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.713088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.713088 (E_RNA) where: Base-Base interactions energy: -5.241 where: short stacking energy: -5.241 Base-Backbone interact. energy: -0.129 local terms energy: -21.343340 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.205 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: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -39.711969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.711969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.711969 (E_RNA) where: Base-Base interactions energy: -14.274 where: short stacking energy: -14.274 Base-Backbone interact. energy: -0.001 local terms energy: -25.436745 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -37.949411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.949411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.949411 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.000 local terms energy: -23.968347 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.325 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -5.609 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: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -42.312731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.312731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.312731 (E_RNA) where: Base-Base interactions energy: -14.005 where: short stacking energy: -14.005 Base-Backbone interact. energy: -0.000 local terms energy: -28.307261 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -37.840512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.840512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.840512 (E_RNA) where: Base-Base interactions energy: -16.663 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.000 local terms energy: -21.177772 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.960 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -32.249729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.249729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.249729 (E_RNA) where: Base-Base interactions energy: -11.086 where: short stacking energy: -11.086 Base-Backbone interact. energy: -0.059 local terms energy: -21.105128 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.562 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: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -31.310421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.310421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.310421 (E_RNA) where: Base-Base interactions energy: -12.117 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.000 local terms energy: -19.193799 where: bonds (distance) C4'-P energy: -2.587 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -4.891 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: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -33.760967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.760967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.760967 (E_RNA) where: Base-Base interactions energy: -9.056 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.003 local terms energy: -24.702595 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -5.260 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: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -32.875254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.875254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.875254 (E_RNA) where: Base-Base interactions energy: -9.424 where: short stacking energy: -9.424 Base-Backbone interact. energy: -0.000 local terms energy: -23.451198 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -31.553358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.553358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.553358 (E_RNA) where: Base-Base interactions energy: -9.547 where: short stacking energy: -9.547 Base-Backbone interact. energy: -0.058 local terms energy: -21.948280 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -1.678 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: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -29.416092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.416092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.416092 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.000 local terms energy: -20.286236 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -44.619494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.619494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.619494 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -17.891 Base-Backbone interact. energy: -0.000 local terms energy: -26.728729 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -39.047264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.047264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.047264 (E_RNA) where: Base-Base interactions energy: -14.032 where: short stacking energy: -14.032 Base-Backbone interact. energy: -0.133 local terms energy: -24.881782 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -37.569435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.569435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.569435 (E_RNA) where: Base-Base interactions energy: -14.047 where: short stacking energy: -14.047 Base-Backbone interact. energy: -0.099 local terms energy: -23.422925 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.592 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: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -38.551569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.551569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.551569 (E_RNA) where: Base-Base interactions energy: -12.565 where: short stacking energy: -12.792 Base-Backbone interact. energy: -0.001 local terms energy: -25.985174 where: bonds (distance) C4'-P energy: -3.097 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -4.410 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: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -33.388879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.388879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.388879 (E_RNA) where: Base-Base interactions energy: -9.963 where: short stacking energy: -9.963 Base-Backbone interact. energy: -0.100 local terms energy: -23.325857 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -34.695449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.695449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.695449 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.009 local terms energy: -23.640928 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -5.004 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: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -32.253198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.253198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.253198 (E_RNA) where: Base-Base interactions energy: -13.468 where: short stacking energy: -13.468 Base-Backbone interact. energy: -0.005 local terms energy: -18.780282 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -3.502 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -32.689665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.689665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.689665 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.003 local terms energy: -18.635664 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -1.793 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -31.402589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.402589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.402589 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.154 local terms energy: -19.895762 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -33.592231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.592231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.592231 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.035 local terms energy: -18.879396 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -2.101 flat angles P-C4'-P energy: -4.083 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: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -43.480678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.480678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.480678 (E_RNA) where: Base-Base interactions energy: -18.044 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.000 local terms energy: -25.436557 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -37.264833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.264833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.264833 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.004 local terms energy: -23.766417 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -36.254174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.254174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.254174 (E_RNA) where: Base-Base interactions energy: -14.407 where: short stacking energy: -14.407 Base-Backbone interact. energy: -0.002 local terms energy: -21.845659 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -2.433 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: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -35.974949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.974949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.974949 (E_RNA) where: Base-Base interactions energy: -12.637 where: short stacking energy: -12.637 Base-Backbone interact. energy: -0.041 local terms energy: -23.296305 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.531 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: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -35.375321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.375321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.375321 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.000 local terms energy: -22.828594 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -29.729196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.729196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.729196 (E_RNA) where: Base-Base interactions energy: -7.642 where: short stacking energy: -7.642 Base-Backbone interact. energy: -0.122 local terms energy: -21.965915 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.494 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -36.411060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.411060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.411060 (E_RNA) where: Base-Base interactions energy: -12.828 where: short stacking energy: -12.828 Base-Backbone interact. energy: -0.000 local terms energy: -23.583071 where: bonds (distance) C4'-P energy: -3.010 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -30.816723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.816723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.816723 (E_RNA) where: Base-Base interactions energy: -11.688 where: short stacking energy: -11.688 Base-Backbone interact. energy: -0.075 local terms energy: -19.053246 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -3.230 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: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -28.078509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.078509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.078509 (E_RNA) where: Base-Base interactions energy: -4.155 where: short stacking energy: -4.155 Base-Backbone interact. energy: -0.014 local terms energy: -23.909783 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -4.912 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: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -28.778871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.778871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.778871 (E_RNA) where: Base-Base interactions energy: -6.530 where: short stacking energy: -6.530 Base-Backbone interact. energy: -0.000 local terms energy: -22.248396 where: bonds (distance) C4'-P energy: -3.701 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -5.487 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: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -36.355236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.355236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.355236 (E_RNA) where: Base-Base interactions energy: -14.122 where: short stacking energy: -12.954 Base-Backbone interact. energy: -0.078 local terms energy: -22.154735 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -37.314964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314964 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.009 local terms energy: -24.652125 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -31.712215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.712215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.712215 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.088 local terms energy: -22.994401 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: 1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -31.072332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.072332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.072332 (E_RNA) where: Base-Base interactions energy: -9.060 where: short stacking energy: -9.060 Base-Backbone interact. energy: -0.107 local terms energy: -21.905086 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -5.194 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: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -34.521645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.521645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.521645 (E_RNA) where: Base-Base interactions energy: -11.001 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.000 local terms energy: -23.520189 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -36.974065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.974065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.974065 (E_RNA) where: Base-Base interactions energy: -13.980 where: short stacking energy: -13.980 Base-Backbone interact. energy: -0.000 local terms energy: -22.994196 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -43.611542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.611542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.611542 (E_RNA) where: Base-Base interactions energy: -15.258 where: short stacking energy: -15.258 Base-Backbone interact. energy: -0.000 local terms energy: -28.353277 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -5.093 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: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -31.931067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.931067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.931067 (E_RNA) where: Base-Base interactions energy: -10.945 where: short stacking energy: -10.945 Base-Backbone interact. energy: -0.006 local terms energy: -20.979909 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -1.706 flat angles P-C4'-P energy: -2.724 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: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -31.818606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.818606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.818606 (E_RNA) where: Base-Base interactions energy: -9.207 where: short stacking energy: -9.207 Base-Backbone interact. energy: -0.009 local terms energy: -22.602882 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -29.172639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.172639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.172639 (E_RNA) where: Base-Base interactions energy: -11.835 where: short stacking energy: -11.835 Base-Backbone interact. energy: -0.021 local terms energy: -17.317022 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -3.907 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -3.422 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: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -42.880101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.880101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.880101 (E_RNA) where: Base-Base interactions energy: -18.727 where: short stacking energy: -18.727 Base-Backbone interact. energy: -0.000 local terms energy: -24.153521 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -5.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -40.150969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.150969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.150969 (E_RNA) where: Base-Base interactions energy: -17.256 where: short stacking energy: -17.256 Base-Backbone interact. energy: -0.000 local terms energy: -22.894699 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -33.756089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.756089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.756089 (E_RNA) where: Base-Base interactions energy: -13.883 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.000 local terms energy: -19.873227 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -38.271428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271428 (E_RNA) where: Base-Base interactions energy: -12.375 where: short stacking energy: -12.375 Base-Backbone interact. energy: -0.015 local terms energy: -25.881791 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.602 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: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -38.906275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.906275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.906275 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: -0.000 local terms energy: -26.386282 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.444 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: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -28.580918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.580918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.580918 (E_RNA) where: Base-Base interactions energy: -7.775 where: short stacking energy: -7.775 Base-Backbone interact. energy: -0.122 local terms energy: -20.684461 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -3.661 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: 7, replica: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -32.426526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.426526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.426526 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.008 local terms energy: -22.266036 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -2.283 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: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -32.911720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.911720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.911720 (E_RNA) where: Base-Base interactions energy: -9.396 where: short stacking energy: -9.396 Base-Backbone interact. energy: -0.367 local terms energy: -23.148956 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -4.295 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: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -30.695189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.695189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.695189 (E_RNA) where: Base-Base interactions energy: -9.190 where: short stacking energy: -9.190 Base-Backbone interact. energy: -0.001 local terms energy: -21.503687 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.398 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: 10, replica: 3 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -28.467948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.467948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.467948 (E_RNA) where: Base-Base interactions energy: -11.684 where: short stacking energy: -11.684 Base-Backbone interact. energy: -0.004 local terms energy: -16.780495 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -2.075 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -43.657454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.657454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.657454 (E_RNA) where: Base-Base interactions energy: -16.816 where: short stacking energy: -16.816 Base-Backbone interact. energy: -0.002 local terms energy: -26.839188 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.467 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: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -37.835595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.835595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.835595 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.000 local terms energy: -24.340248 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -4.857 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: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -35.589674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.589674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.589674 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: 0.081 local terms energy: -22.743175 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -35.088778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.088778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.088778 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -12.810 Base-Backbone interact. energy: -0.612 local terms energy: -21.125560 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: 1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -37.173282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.173282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.173282 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.021 local terms energy: -23.110207 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -33.863120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.863120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.863120 (E_RNA) where: Base-Base interactions energy: -12.903 where: short stacking energy: -12.903 Base-Backbone interact. energy: -0.000 local terms energy: -20.960427 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: 0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -32.861315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.861315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.861315 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.020 local terms energy: -18.639408 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -30.883180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.883180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.883180 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.004 local terms energy: -17.671087 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -32.755966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.755966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.755966 (E_RNA) where: Base-Base interactions energy: -11.960 where: short stacking energy: -11.960 Base-Backbone interact. energy: -0.000 local terms energy: -20.795893 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -33.018123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.018123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.018123 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.000 local terms energy: -22.169604 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -2.761 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: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -37.050144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.050144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.050144 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.060 local terms energy: -22.993461 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.559 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: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -41.071881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.071881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.071881 (E_RNA) where: Base-Base interactions energy: -16.638 where: short stacking energy: -16.638 Base-Backbone interact. energy: -0.006 local terms energy: -24.427243 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -41.885916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.885916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.885916 (E_RNA) where: Base-Base interactions energy: -16.142 where: short stacking energy: -16.142 Base-Backbone interact. energy: -0.000 local terms energy: -25.743538 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -31.875974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.875974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.875974 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -9.232 Base-Backbone interact. energy: -0.100 local terms energy: -22.544434 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.030 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: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -33.130615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.130615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.130615 (E_RNA) where: Base-Base interactions energy: -13.258 where: short stacking energy: -13.258 Base-Backbone interact. energy: -0.002 local terms energy: -19.871026 where: bonds (distance) C4'-P energy: -2.393 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -4.463 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: 6, replica: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -32.331333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.331333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.331333 (E_RNA) where: Base-Base interactions energy: -11.907 where: short stacking energy: -11.907 Base-Backbone interact. energy: -0.002 local terms energy: -20.422794 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.706 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -31.391229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.391229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.391229 (E_RNA) where: Base-Base interactions energy: -8.344 where: short stacking energy: -8.344 Base-Backbone interact. energy: -0.020 local terms energy: -23.027718 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.475 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: 8, replica: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -29.141651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.141651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.141651 (E_RNA) where: Base-Base interactions energy: -7.554 where: short stacking energy: -7.554 Base-Backbone interact. energy: -0.005 local terms energy: -21.582692 where: bonds (distance) C4'-P energy: -2.615 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -25.959926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.959926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.959926 (E_RNA) where: Base-Base interactions energy: -14.468 where: short stacking energy: -14.468 Base-Backbone interact. energy: -0.026 local terms energy: -11.466179 where: bonds (distance) C4'-P energy: -2.144 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -2.621 flat angles P-C4'-P energy: -0.529 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: 10, replica: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -32.950035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.950035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.950035 (E_RNA) where: Base-Base interactions energy: -11.243 where: short stacking energy: -11.243 Base-Backbone interact. energy: -0.001 local terms energy: -21.705936 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -2.268 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: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -34.418401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.418401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.418401 (E_RNA) where: Base-Base interactions energy: -12.274 where: short stacking energy: -12.274 Base-Backbone interact. energy: -0.031 local terms energy: -22.112913 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -1.975 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: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -36.930468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.930468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.930468 (E_RNA) where: Base-Base interactions energy: -15.119 where: short stacking energy: -15.119 Base-Backbone interact. energy: -0.056 local terms energy: -21.754762 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -3.349 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: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -32.755231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.755231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.755231 (E_RNA) where: Base-Base interactions energy: -10.257 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.107 local terms energy: -22.391663 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -33.981966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.981966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.981966 (E_RNA) where: Base-Base interactions energy: -11.314 where: short stacking energy: -11.314 Base-Backbone interact. energy: -0.000 local terms energy: -22.667176 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -38.130047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.130047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.130047 (E_RNA) where: Base-Base interactions energy: -17.776 where: short stacking energy: -17.776 Base-Backbone interact. energy: -0.000 local terms energy: -20.353530 where: bonds (distance) C4'-P energy: -3.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -36.951926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.951926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.951926 (E_RNA) where: Base-Base interactions energy: -14.037 where: short stacking energy: -14.037 Base-Backbone interact. energy: -0.002 local terms energy: -22.913274 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -3.820 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -31.947834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.947834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.947834 (E_RNA) where: Base-Base interactions energy: -9.815 where: short stacking energy: -9.815 Base-Backbone interact. energy: -0.002 local terms energy: -22.130613 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -5.101 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: 3 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -28.883411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.883411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.883411 (E_RNA) where: Base-Base interactions energy: -9.636 where: short stacking energy: -9.636 Base-Backbone interact. energy: -0.001 local terms energy: -19.246482 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -4.138 flat angles C4'-P-C4' energy: -3.451 flat angles P-C4'-P energy: -3.917 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: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -32.723232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.723232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.723232 (E_RNA) where: Base-Base interactions energy: -14.594 where: short stacking energy: -14.594 Base-Backbone interact. energy: -0.000 local terms energy: -18.129471 where: bonds (distance) C4'-P energy: -2.802 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: 0.717 tors. eta vs tors. theta energy: -5.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -32.980408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.980408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.980408 (E_RNA) where: Base-Base interactions energy: -10.875 where: short stacking energy: -10.875 Base-Backbone interact. energy: -0.004 local terms energy: -22.101538 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.204 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: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -41.955073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.955073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.955073 (E_RNA) where: Base-Base interactions energy: -17.241 where: short stacking energy: -17.718 Base-Backbone interact. energy: -0.052 local terms energy: -24.661856 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -43.871326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.871326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.871326 (E_RNA) where: Base-Base interactions energy: -18.300 where: short stacking energy: -18.300 Base-Backbone interact. energy: -0.000 local terms energy: -25.571757 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -35.288956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.288956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.288956 (E_RNA) where: Base-Base interactions energy: -13.243 where: short stacking energy: -13.243 Base-Backbone interact. energy: -0.110 local terms energy: -21.936309 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -3.670 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: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -34.004183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.004183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.004183 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.631 Base-Backbone interact. energy: -1.165 local terms energy: -23.207955 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -34.406414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.406414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.406414 (E_RNA) where: Base-Base interactions energy: -11.984 where: short stacking energy: -11.984 Base-Backbone interact. energy: -0.001 local terms energy: -22.421295 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -3.925 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: 6, replica: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -28.001864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.001864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.001864 (E_RNA) where: Base-Base interactions energy: -6.111 where: short stacking energy: -6.111 Base-Backbone interact. energy: -0.011 local terms energy: -21.879917 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -33.308348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.308348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.308348 (E_RNA) where: Base-Base interactions energy: -11.901 where: short stacking energy: -11.901 Base-Backbone interact. energy: -0.081 local terms energy: -21.326190 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: 0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -30.777549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.777549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.777549 (E_RNA) where: Base-Base interactions energy: -9.538 where: short stacking energy: -9.538 Base-Backbone interact. energy: -0.091 local terms energy: -21.148566 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -1.434 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -31.593835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.593835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.593835 (E_RNA) where: Base-Base interactions energy: -12.990 where: short stacking energy: -12.990 Base-Backbone interact. energy: -0.119 local terms energy: -18.484787 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: 0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -30.453204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.453204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.453204 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.085 local terms energy: -22.708621 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -4.555 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: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -39.829851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.829851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.829851 (E_RNA) where: Base-Base interactions energy: -12.194 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.000 local terms energy: -27.635449 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -40.031772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.031772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.031772 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.003 local terms energy: -26.506231 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -34.687209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.687209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.687209 (E_RNA) where: Base-Base interactions energy: -12.045 where: short stacking energy: -12.045 Base-Backbone interact. energy: -0.000 local terms energy: -22.641670 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -33.875105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.875105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.875105 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -11.993 Base-Backbone interact. energy: -0.074 local terms energy: -21.807764 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -32.198114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.198114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.198114 (E_RNA) where: Base-Base interactions energy: -11.569 where: short stacking energy: -11.569 Base-Backbone interact. energy: -0.039 local terms energy: -20.589402 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -31.411826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.411826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.411826 (E_RNA) where: Base-Base interactions energy: -8.460 where: short stacking energy: -8.460 Base-Backbone interact. energy: -0.000 local terms energy: -22.951393 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -4.289 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: 7, replica: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -32.845706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.845706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.845706 (E_RNA) where: Base-Base interactions energy: -11.502 where: short stacking energy: -11.502 Base-Backbone interact. energy: -0.000 local terms energy: -21.343316 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -29.406784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.406784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.406784 (E_RNA) where: Base-Base interactions energy: -8.340 where: short stacking energy: -8.340 Base-Backbone interact. energy: 0.089 local terms energy: -21.155356 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -30.493739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.493739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.493739 (E_RNA) where: Base-Base interactions energy: -9.540 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.396 local terms energy: -20.557829 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -31.488942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.488942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.488942 (E_RNA) where: Base-Base interactions energy: -10.605 where: short stacking energy: -10.605 Base-Backbone interact. energy: -0.068 local terms energy: -20.816008 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -1.164 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: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -38.108480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.108480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.108480 (E_RNA) where: Base-Base interactions energy: -13.269 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.023 local terms energy: -24.815916 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -5.146 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: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -34.617239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.617239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.617239 (E_RNA) where: Base-Base interactions energy: -12.059 where: short stacking energy: -12.059 Base-Backbone interact. energy: -0.038 local terms energy: -22.519729 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -38.052285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.052285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.052285 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.000 local terms energy: -26.046450 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.561 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: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -36.100232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.100232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.100232 (E_RNA) where: Base-Base interactions energy: -11.235 where: short stacking energy: -11.235 Base-Backbone interact. energy: -0.000 local terms energy: -24.865260 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -34.051493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.051493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.051493 (E_RNA) where: Base-Base interactions energy: -11.206 where: short stacking energy: -11.206 Base-Backbone interact. energy: -0.058 local terms energy: -22.787882 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -29.558977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.558977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.558977 (E_RNA) where: Base-Base interactions energy: -8.848 where: short stacking energy: -8.848 Base-Backbone interact. energy: -0.188 local terms energy: -20.522678 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -33.031935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.031935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.031935 (E_RNA) where: Base-Base interactions energy: -12.809 where: short stacking energy: -12.809 Base-Backbone interact. energy: -0.043 local terms energy: -20.180318 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -2.207 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -30.803460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.803460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.803460 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.018 local terms energy: -22.633201 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: 0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -30.021802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.021802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.021802 (E_RNA) where: Base-Base interactions energy: -7.178 where: short stacking energy: -7.178 Base-Backbone interact. energy: -0.001 local terms energy: -22.842741 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: -3.898 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: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -29.836448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.836448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.836448 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.004 local terms energy: -18.900917 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -3.423 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -1.760 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -38.090364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.090364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.090364 (E_RNA) where: Base-Base interactions energy: -15.028 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.092 local terms energy: -22.970389 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -36.775674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.775674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.775674 (E_RNA) where: Base-Base interactions energy: -15.935 where: short stacking energy: -15.935 Base-Backbone interact. energy: -0.001 local terms energy: -20.839412 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -39.093167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.093167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.093167 (E_RNA) where: Base-Base interactions energy: -17.037 where: short stacking energy: -17.037 Base-Backbone interact. energy: -0.000 local terms energy: -22.056198 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -33.238446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.238446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.238446 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.000 local terms energy: -20.584677 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -0.169 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: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -37.711957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.711957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.711957 (E_RNA) where: Base-Base interactions energy: -16.096 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.000 local terms energy: -21.616284 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -1.876 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: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -33.500634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.500634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.500634 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.009 local terms energy: -19.927961 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -32.581237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.581237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.581237 (E_RNA) where: Base-Base interactions energy: -10.393 where: short stacking energy: -10.393 Base-Backbone interact. energy: 0.284 local terms energy: -22.471572 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -4.944 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -31.379037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.379037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.379037 (E_RNA) where: Base-Base interactions energy: -10.734 where: short stacking energy: -10.734 Base-Backbone interact. energy: -0.062 local terms energy: -20.583541 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -31.563721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.563721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.563721 (E_RNA) where: Base-Base interactions energy: -8.970 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.059 local terms energy: -22.534535 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -32.191729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.191729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.191729 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.003 local terms energy: -20.303344 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -38.813609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.813609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.813609 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.063 local terms energy: -26.953458 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -33.886504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.886504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.886504 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.010 local terms energy: -23.132749 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -2.944 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: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -40.860173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.860173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.860173 (E_RNA) where: Base-Base interactions energy: -16.715 where: short stacking energy: -16.715 Base-Backbone interact. energy: -0.003 local terms energy: -24.142075 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.722 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: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -37.324750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.324750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.324750 (E_RNA) where: Base-Base interactions energy: -11.742 where: short stacking energy: -11.742 Base-Backbone interact. energy: -0.017 local terms energy: -25.565719 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -3.576 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: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -36.952574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.952574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.952574 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.000 local terms energy: -23.052271 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -34.130106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.130106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.130106 (E_RNA) where: Base-Base interactions energy: -12.322 where: short stacking energy: -11.555 Base-Backbone interact. energy: -0.001 local terms energy: -21.806596 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.116 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: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -32.355507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.355507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.355507 (E_RNA) where: Base-Base interactions energy: -9.495 where: short stacking energy: -9.495 Base-Backbone interact. energy: -0.000 local terms energy: -22.859793 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -32.599862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.599862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.599862 (E_RNA) where: Base-Base interactions energy: -13.731 where: short stacking energy: -13.731 Base-Backbone interact. energy: -0.054 local terms energy: -18.814792 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -1.312 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -29.161378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.161378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.161378 (E_RNA) where: Base-Base interactions energy: -7.395 where: short stacking energy: -7.395 Base-Backbone interact. energy: -0.145 local terms energy: -21.621452 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -25.585380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.585380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.585380 (E_RNA) where: Base-Base interactions energy: -4.229 where: short stacking energy: -4.229 Base-Backbone interact. energy: -0.943 local terms energy: -20.414149 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -40.042938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.042938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.042938 (E_RNA) where: Base-Base interactions energy: -15.502 where: short stacking energy: -15.502 Base-Backbone interact. energy: -0.000 local terms energy: -24.540542 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -39.175548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.175548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.175548 (E_RNA) where: Base-Base interactions energy: -16.190 where: short stacking energy: -16.190 Base-Backbone interact. energy: -0.000 local terms energy: -22.985629 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -0.667 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: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -37.629134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.629134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.629134 (E_RNA) where: Base-Base interactions energy: -16.941 where: short stacking energy: -16.941 Base-Backbone interact. energy: -0.001 local terms energy: -20.687902 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -2.659 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: 101 Temperature: 1.050000 Total energy: -34.881745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.881745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.881745 (E_RNA) where: Base-Base interactions energy: -10.003 where: short stacking energy: -10.003 Base-Backbone interact. energy: -0.001 local terms energy: -24.877956 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -32.544479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.544479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.544479 (E_RNA) where: Base-Base interactions energy: -10.722 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.001 local terms energy: -21.821667 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -34.952985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.952985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.952985 (E_RNA) where: Base-Base interactions energy: -13.178 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.075 local terms energy: -21.700457 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -3.896 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: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -31.351341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.351341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.351341 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.594 Base-Backbone interact. energy: -1.211 local terms energy: -22.936480 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -4.394 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: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -31.764598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.764598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.764598 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -9.919 Base-Backbone interact. energy: 0.642 local terms energy: -22.787721 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -30.894137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.894137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.894137 (E_RNA) where: Base-Base interactions energy: -8.234 where: short stacking energy: -8.234 Base-Backbone interact. energy: -0.000 local terms energy: -22.659513 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -26.433954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433954 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.014 local terms energy: -19.215747 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -0.699 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: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -42.161162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.161162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.161162 (E_RNA) where: Base-Base interactions energy: -17.593 where: short stacking energy: -17.593 Base-Backbone interact. energy: -0.000 local terms energy: -24.568450 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -39.563320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.563320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.563320 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.000 local terms energy: -25.723124 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -2.715 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -37.462602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.462602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.462602 (E_RNA) where: Base-Base interactions energy: -11.636 where: short stacking energy: -11.636 Base-Backbone interact. energy: -1.135 local terms energy: -24.691547 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.369 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: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -36.881800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.881800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.881800 (E_RNA) where: Base-Base interactions energy: -12.995 where: short stacking energy: -12.995 Base-Backbone interact. energy: -0.000 local terms energy: -23.886706 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -36.868030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.868030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.868030 (E_RNA) where: Base-Base interactions energy: -13.856 where: short stacking energy: -13.856 Base-Backbone interact. energy: -0.001 local terms energy: -23.010770 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -2.990 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: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -34.069691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.069691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.069691 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.000 local terms energy: -20.061620 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -30.248926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.248926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.248926 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: 1.232 local terms energy: -21.291956 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -34.707555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.707555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.707555 (E_RNA) where: Base-Base interactions energy: -12.343 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.096 local terms energy: -22.268322 where: bonds (distance) C4'-P energy: -2.181 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -4.261 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: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -28.398211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.398211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.398211 (E_RNA) where: Base-Base interactions energy: -11.826 where: short stacking energy: -11.826 Base-Backbone interact. energy: -0.000 local terms energy: -16.571984 where: bonds (distance) C4'-P energy: -1.563 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -1.007 flat angles P-C4'-P energy: -2.410 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -33.598674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.598674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.598674 (E_RNA) where: Base-Base interactions energy: -10.343 where: short stacking energy: -10.343 Base-Backbone interact. energy: -0.000 local terms energy: -23.255822 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -4.195 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: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -39.450706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.450706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.450706 (E_RNA) where: Base-Base interactions energy: -14.065 where: short stacking energy: -14.065 Base-Backbone interact. energy: -0.000 local terms energy: -25.384865 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.829 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: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -42.715602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.715602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.715602 (E_RNA) where: Base-Base interactions energy: -13.662 where: short stacking energy: -13.662 Base-Backbone interact. energy: -0.000 local terms energy: -29.053712 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.803 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: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -37.784185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.784185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.784185 (E_RNA) where: Base-Base interactions energy: -12.677 where: short stacking energy: -12.677 Base-Backbone interact. energy: -0.018 local terms energy: -25.088930 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -35.453351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.453351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.453351 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.003 local terms energy: -21.712687 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -31.902798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.902798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.902798 (E_RNA) where: Base-Base interactions energy: -13.505 where: short stacking energy: -13.505 Base-Backbone interact. energy: -0.096 local terms energy: -18.302080 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.327 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: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -31.829519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.829519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.829519 (E_RNA) where: Base-Base interactions energy: -11.191 where: short stacking energy: -11.191 Base-Backbone interact. energy: -0.027 local terms energy: -20.611342 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.426 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.311 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: 7, replica: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -31.252367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.252367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.252367 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.096 local terms energy: -21.204679 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -29.511208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.511208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.511208 (E_RNA) where: Base-Base interactions energy: -5.161 where: short stacking energy: -5.161 Base-Backbone interact. energy: -0.006 local terms energy: -24.344316 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -27.282759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.282759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.282759 (E_RNA) where: Base-Base interactions energy: -7.297 where: short stacking energy: -7.297 Base-Backbone interact. energy: -0.740 local terms energy: -19.246387 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -30.787285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787285 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.000 local terms energy: -21.301716 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -4.070 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -39.060592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.060592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.060592 (E_RNA) where: Base-Base interactions energy: -12.907 where: short stacking energy: -12.907 Base-Backbone interact. energy: -0.001 local terms energy: -26.153015 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -40.656538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.656538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.656538 (E_RNA) where: Base-Base interactions energy: -13.939 where: short stacking energy: -13.939 Base-Backbone interact. energy: -0.000 local terms energy: -26.716971 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -31.351019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.351019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.351019 (E_RNA) where: Base-Base interactions energy: -9.406 where: short stacking energy: -9.406 Base-Backbone interact. energy: -0.047 local terms energy: -21.898391 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -38.002470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.002470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.002470 (E_RNA) where: Base-Base interactions energy: -16.678 where: short stacking energy: -16.678 Base-Backbone interact. energy: -0.000 local terms energy: -21.324294 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -1.505 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: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -37.786992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.786992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.786992 (E_RNA) where: Base-Base interactions energy: -13.339 where: short stacking energy: -13.339 Base-Backbone interact. energy: -0.018 local terms energy: -24.430052 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -30.306540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.306540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.306540 (E_RNA) where: Base-Base interactions energy: -8.847 where: short stacking energy: -8.847 Base-Backbone interact. energy: -0.004 local terms energy: -21.455365 where: bonds (distance) C4'-P energy: -3.444 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -32.422947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.422947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.422947 (E_RNA) where: Base-Base interactions energy: -9.485 where: short stacking energy: -9.485 Base-Backbone interact. energy: -0.000 local terms energy: -22.937614 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -33.965700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.965700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.965700 (E_RNA) where: Base-Base interactions energy: -14.061 where: short stacking energy: -14.061 Base-Backbone interact. energy: -0.000 local terms energy: -19.904298 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.779 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -32.203402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203402 (E_RNA) where: Base-Base interactions energy: -9.013 where: short stacking energy: -9.013 Base-Backbone interact. energy: -0.145 local terms energy: -23.045297 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.230 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: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -33.072619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.072619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.072619 (E_RNA) where: Base-Base interactions energy: -11.076 where: short stacking energy: -11.076 Base-Backbone interact. energy: -0.033 local terms energy: -21.963261 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -40.633923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.633923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.633923 (E_RNA) where: Base-Base interactions energy: -17.201 where: short stacking energy: -17.201 Base-Backbone interact. energy: -0.000 local terms energy: -23.432684 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -39.324445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.324445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.324445 (E_RNA) where: Base-Base interactions energy: -14.249 where: short stacking energy: -14.249 Base-Backbone interact. energy: -0.000 local terms energy: -25.075108 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.382 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: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -40.285488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.285488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.285488 (E_RNA) where: Base-Base interactions energy: -15.785 where: short stacking energy: -15.785 Base-Backbone interact. energy: -0.039 local terms energy: -24.461453 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -40.779846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.779846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.779846 (E_RNA) where: Base-Base interactions energy: -14.493 where: short stacking energy: -14.493 Base-Backbone interact. energy: -0.041 local terms energy: -26.246493 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.801 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: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -30.292003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.292003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.292003 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: 0.424 local terms energy: -22.755028 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -29.034994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.034994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.034994 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.045 local terms energy: -18.530842 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.214 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: 7, replica: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -33.799943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.799943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.799943 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.001 local terms energy: -22.446363 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -5.507 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: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -32.919534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.919534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.919534 (E_RNA) where: Base-Base interactions energy: -13.829 where: short stacking energy: -13.829 Base-Backbone interact. energy: -0.115 local terms energy: -18.975036 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.582 flat angles P-C4'-P energy: -1.458 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: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -30.724679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.724679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.724679 (E_RNA) where: Base-Base interactions energy: -12.725 where: short stacking energy: -12.725 Base-Backbone interact. energy: -0.000 local terms energy: -17.999140 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: 0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -30.742951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.742951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.742951 (E_RNA) where: Base-Base interactions energy: -7.385 where: short stacking energy: -7.385 Base-Backbone interact. energy: -0.000 local terms energy: -23.357449 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -3.157 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: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -42.715919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.715919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.715919 (E_RNA) where: Base-Base interactions energy: -18.431 where: short stacking energy: -18.431 Base-Backbone interact. energy: -0.000 local terms energy: -24.284949 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -4.820 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: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -32.634221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.634221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.634221 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -10.006 Base-Backbone interact. energy: -0.008 local terms energy: -22.620343 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.466 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: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -38.078713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.078713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.078713 (E_RNA) where: Base-Base interactions energy: -13.245 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.000 local terms energy: -24.833271 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -35.879008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.879008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.879008 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.018 local terms energy: -25.507729 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -4.751 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: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -37.803835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.803835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.803835 (E_RNA) where: Base-Base interactions energy: -13.610 where: short stacking energy: -13.610 Base-Backbone interact. energy: -0.000 local terms energy: -24.194311 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -31.674345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.674345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.674345 (E_RNA) where: Base-Base interactions energy: -10.949 where: short stacking energy: -10.949 Base-Backbone interact. energy: -0.114 local terms energy: -20.611236 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.597 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: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -33.650675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.650675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.650675 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.000 local terms energy: -21.193314 where: bonds (distance) C4'-P energy: -3.012 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -31.217928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.217928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.217928 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.001 local terms energy: -19.600856 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -2.648 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: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -28.950756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950756 (E_RNA) where: Base-Base interactions energy: -8.239 where: short stacking energy: -8.239 Base-Backbone interact. energy: -0.096 local terms energy: -20.615365 where: bonds (distance) C4'-P energy: -2.483 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -2.481 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: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -30.841313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.841313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.841313 (E_RNA) where: Base-Base interactions energy: -10.554 where: short stacking energy: -10.554 Base-Backbone interact. energy: 0.051 local terms energy: -20.338751 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -39.652656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.652656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.652656 (E_RNA) where: Base-Base interactions energy: -15.515 where: short stacking energy: -15.515 Base-Backbone interact. energy: -0.007 local terms energy: -24.130718 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -41.742797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.742797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.742797 (E_RNA) where: Base-Base interactions energy: -16.914 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.000 local terms energy: -24.828707 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -38.490542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.490542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.490542 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.000 local terms energy: -24.068644 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -39.954994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.954994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.954994 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -13.252 Base-Backbone interact. energy: -0.015 local terms energy: -26.688000 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.019 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: 107 Temperature: 1.100000 Total energy: -36.077595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.077595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.077595 (E_RNA) where: Base-Base interactions energy: -11.812 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.011 local terms energy: -24.254782 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -30.036550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.036550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.036550 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.001 local terms energy: -17.054517 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -1.784 tors. eta vs tors. theta energy: -0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -33.754976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.754976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.754976 (E_RNA) where: Base-Base interactions energy: -9.096 where: short stacking energy: -9.096 Base-Backbone interact. energy: -0.026 local terms energy: -24.633137 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.844 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: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -33.038326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.038326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.038326 (E_RNA) where: Base-Base interactions energy: -8.896 where: short stacking energy: -8.896 Base-Backbone interact. energy: -0.000 local terms energy: -24.142648 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.732 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: 9, replica: 5 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -32.814236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.814236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.814236 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.097 local terms energy: -22.987847 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -5.382 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: 10, replica: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -32.176877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.176877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.176877 (E_RNA) where: Base-Base interactions energy: -12.149 where: short stacking energy: -12.149 Base-Backbone interact. energy: -0.000 local terms energy: -20.027650 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -4.410 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: 1, replica: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -43.501056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.501056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.501056 (E_RNA) where: Base-Base interactions energy: -16.795 where: short stacking energy: -16.795 Base-Backbone interact. energy: -0.000 local terms energy: -26.705710 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -43.381930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.381930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.381930 (E_RNA) where: Base-Base interactions energy: -15.735 where: short stacking energy: -15.735 Base-Backbone interact. energy: -0.000 local terms energy: -27.646800 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -6.690 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: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -37.443486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.443486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.443486 (E_RNA) where: Base-Base interactions energy: -15.385 where: short stacking energy: -15.385 Base-Backbone interact. energy: -0.046 local terms energy: -22.012719 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -37.334066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.334066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.334066 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.000 local terms energy: -24.332949 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -32.768826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.768826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.768826 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -0.000 local terms energy: -25.211461 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -2.434 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: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -33.963444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.963444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.963444 (E_RNA) where: Base-Base interactions energy: -11.015 where: short stacking energy: -11.015 Base-Backbone interact. energy: -0.001 local terms energy: -22.948215 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -32.998252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.998252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.998252 (E_RNA) where: Base-Base interactions energy: -14.991 where: short stacking energy: -14.991 Base-Backbone interact. energy: -0.192 local terms energy: -17.815306 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -1.681 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: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -28.299709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.299709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.299709 (E_RNA) where: Base-Base interactions energy: -9.013 where: short stacking energy: -9.033 Base-Backbone interact. energy: -0.128 local terms energy: -19.159281 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -30.085070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.085070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.085070 (E_RNA) where: Base-Base interactions energy: -9.681 where: short stacking energy: -9.681 Base-Backbone interact. energy: -0.002 local terms energy: -20.401848 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -3.261 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: 10, replica: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -28.637143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.637143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.637143 (E_RNA) where: Base-Base interactions energy: -12.832 where: short stacking energy: -11.620 Base-Backbone interact. energy: 1.144 local terms energy: -16.949306 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -1.656 tors. eta vs tors. theta energy: -1.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -40.676336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.676336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.676336 (E_RNA) where: Base-Base interactions energy: -16.788 where: short stacking energy: -16.788 Base-Backbone interact. energy: -0.007 local terms energy: -23.881747 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -38.001608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.001608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.001608 (E_RNA) where: Base-Base interactions energy: -13.748 where: short stacking energy: -13.748 Base-Backbone interact. energy: -0.003 local terms energy: -24.251091 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -3.308 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: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -40.719942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.719942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.719942 (E_RNA) where: Base-Base interactions energy: -17.214 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.085 local terms energy: -23.421234 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -3.058 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: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -32.165430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.165430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.165430 (E_RNA) where: Base-Base interactions energy: -8.766 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.000 local terms energy: -23.399866 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -4.040 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: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -36.855859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.855859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.855859 (E_RNA) where: Base-Base interactions energy: -16.771 where: short stacking energy: -16.771 Base-Backbone interact. energy: -0.000 local terms energy: -20.084645 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -1.726 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -35.546795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.546795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.546795 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -13.293 Base-Backbone interact. energy: -0.000 local terms energy: -22.253848 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -2.430 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: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -33.768793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.768793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.768793 (E_RNA) where: Base-Base interactions energy: -10.159 where: short stacking energy: -10.159 Base-Backbone interact. energy: -0.007 local terms energy: -23.603254 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -2.655 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: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -34.453360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.453360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.453360 (E_RNA) where: Base-Base interactions energy: -13.783 where: short stacking energy: -13.954 Base-Backbone interact. energy: -0.051 local terms energy: -20.619975 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -29.036848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.036848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.036848 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.164 local terms energy: -18.855798 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -4.484 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -30.065018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.065018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.065018 (E_RNA) where: Base-Base interactions energy: -10.373 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.115 local terms energy: -19.576270 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -43.253293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.253293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.253293 (E_RNA) where: Base-Base interactions energy: -17.337 where: short stacking energy: -17.337 Base-Backbone interact. energy: -0.000 local terms energy: -25.916431 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -2.141 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -38.341541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.341541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.341541 (E_RNA) where: Base-Base interactions energy: -18.044 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.063 local terms energy: -20.234167 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -38.229069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.229069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.229069 (E_RNA) where: Base-Base interactions energy: -11.844 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.000 local terms energy: -26.385536 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -5.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -32.469470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.469470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.469470 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: -0.000 local terms energy: -24.577818 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -32.399811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.399811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.399811 (E_RNA) where: Base-Base interactions energy: -12.599 where: short stacking energy: -12.599 Base-Backbone interact. energy: -0.068 local terms energy: -19.732581 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -4.361 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: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -34.404884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.404884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.404884 (E_RNA) where: Base-Base interactions energy: -12.257 where: short stacking energy: -12.257 Base-Backbone interact. energy: -0.000 local terms energy: -22.147683 where: bonds (distance) C4'-P energy: -3.298 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -33.210947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210947 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -12.071 Base-Backbone interact. energy: -0.003 local terms energy: -21.137262 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -32.903258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.903258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.903258 (E_RNA) where: Base-Base interactions energy: -11.081 where: short stacking energy: -11.081 Base-Backbone interact. energy: -0.101 local terms energy: -21.721381 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -4.652 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: 9, replica: 5 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -28.053675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.053675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.053675 (E_RNA) where: Base-Base interactions energy: -7.181 where: short stacking energy: -7.181 Base-Backbone interact. energy: -0.006 local terms energy: -20.866654 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -28.679165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.679165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.679165 (E_RNA) where: Base-Base interactions energy: -8.502 where: short stacking energy: -8.502 Base-Backbone interact. energy: -0.120 local terms energy: -20.057416 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: 2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -43.033565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.033565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.033565 (E_RNA) where: Base-Base interactions energy: -16.512 where: short stacking energy: -16.512 Base-Backbone interact. energy: -0.000 local terms energy: -26.521471 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -5.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -39.837281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.837281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.837281 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -13.843 Base-Backbone interact. energy: -0.000 local terms energy: -25.994727 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -34.851889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.851889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.851889 (E_RNA) where: Base-Base interactions energy: -11.900 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.011 local terms energy: -22.940470 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -3.695 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: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -34.497375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.497375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.497375 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -10.538 Base-Backbone interact. energy: -0.000 local terms energy: -23.958827 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -2.212 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: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -33.295119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.295119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.295119 (E_RNA) where: Base-Base interactions energy: -8.624 where: short stacking energy: -8.502 Base-Backbone interact. energy: -0.000 local terms energy: -24.671448 where: bonds (distance) C4'-P energy: -3.266 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -2.881 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: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -28.748850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.748850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.748850 (E_RNA) where: Base-Base interactions energy: -8.981 where: short stacking energy: -8.981 Base-Backbone interact. energy: -0.028 local terms energy: -19.739947 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -31.737930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.737930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.737930 (E_RNA) where: Base-Base interactions energy: -10.151 where: short stacking energy: -10.151 Base-Backbone interact. energy: -0.038 local terms energy: -21.549811 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -4.390 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: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -29.113463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.113463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.113463 (E_RNA) where: Base-Base interactions energy: -8.811 where: short stacking energy: -8.811 Base-Backbone interact. energy: -0.015 local terms energy: -20.287477 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -30.559870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.559870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.559870 (E_RNA) where: Base-Base interactions energy: -8.992 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.000 local terms energy: -21.567539 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.002 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: 10, replica: 6 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -33.374547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.374547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.374547 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.000 local terms energy: -20.903050 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -4.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -37.963923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.963923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.963923 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.004 local terms energy: -25.329570 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -39.698806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.698806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.698806 (E_RNA) where: Base-Base interactions energy: -13.052 where: short stacking energy: -13.052 Base-Backbone interact. energy: -0.000 local terms energy: -26.646458 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -5.087 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: 3, replica: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -37.888193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.888193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.888193 (E_RNA) where: Base-Base interactions energy: -15.933 where: short stacking energy: -15.933 Base-Backbone interact. energy: -0.059 local terms energy: -21.896153 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.036 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -37.214759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.214759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.214759 (E_RNA) where: Base-Base interactions energy: -12.988 where: short stacking energy: -12.988 Base-Backbone interact. energy: -0.001 local terms energy: -24.225437 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.972 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: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -33.417080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.417080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.417080 (E_RNA) where: Base-Base interactions energy: -11.575 where: short stacking energy: -11.575 Base-Backbone interact. energy: -0.013 local terms energy: -21.829138 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -2.906 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: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -35.578233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.578233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.578233 (E_RNA) where: Base-Base interactions energy: -14.288 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.026 local terms energy: -21.264180 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -34.464908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.464908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.464908 (E_RNA) where: Base-Base interactions energy: -10.558 where: short stacking energy: -10.558 Base-Backbone interact. energy: -0.005 local terms energy: -23.901783 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.240 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: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -38.267177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.267177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.267177 (E_RNA) where: Base-Base interactions energy: -17.599 where: short stacking energy: -17.599 Base-Backbone interact. energy: -0.015 local terms energy: -20.653892 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -1.561 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -32.816165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.816165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.816165 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -5.123 Base-Backbone interact. energy: -0.053 local terms energy: -23.546988 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -31.212644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.212644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.212644 (E_RNA) where: Base-Base interactions energy: -9.583 where: short stacking energy: -9.583 Base-Backbone interact. energy: -0.000 local terms energy: -21.629514 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -3.997 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: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -41.950853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.950853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.950853 (E_RNA) where: Base-Base interactions energy: -14.453 where: short stacking energy: -14.453 Base-Backbone interact. energy: -0.000 local terms energy: -27.497249 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.834 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: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -39.245390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.245390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.245390 (E_RNA) where: Base-Base interactions energy: -12.809 where: short stacking energy: -12.809 Base-Backbone interact. energy: -0.057 local terms energy: -26.379913 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -40.623603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.623603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.623603 (E_RNA) where: Base-Base interactions energy: -17.390 where: short stacking energy: -17.390 Base-Backbone interact. energy: -0.011 local terms energy: -23.222277 where: bonds (distance) C4'-P energy: -4.070 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -3.086 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: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -35.474355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.474355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.474355 (E_RNA) where: Base-Base interactions energy: -16.852 where: short stacking energy: -16.852 Base-Backbone interact. energy: -0.008 local terms energy: -18.614379 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -2.813 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: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -35.279579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.279579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.279579 (E_RNA) where: Base-Base interactions energy: -10.414 where: short stacking energy: -10.414 Base-Backbone interact. energy: -0.001 local terms energy: -24.864429 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -33.994160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.994160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.994160 (E_RNA) where: Base-Base interactions energy: -13.142 where: short stacking energy: -13.142 Base-Backbone interact. energy: -0.097 local terms energy: -20.755270 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -2.911 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: 7, replica: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -32.608173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608173 (E_RNA) where: Base-Base interactions energy: -7.834 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.091 local terms energy: -24.683486 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -30.470694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.470694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.470694 (E_RNA) where: Base-Base interactions energy: -9.821 where: short stacking energy: -10.194 Base-Backbone interact. energy: -0.044 local terms energy: -20.605597 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -1.876 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: 9, replica: 5 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -30.378805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.378805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.378805 (E_RNA) where: Base-Base interactions energy: -8.981 where: short stacking energy: -8.981 Base-Backbone interact. energy: -1.289 local terms energy: -20.109138 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -5.541 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: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -30.866718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.866718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.866718 (E_RNA) where: Base-Base interactions energy: -9.797 where: short stacking energy: -9.797 Base-Backbone interact. energy: -0.001 local terms energy: -21.069038 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.306 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: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -42.781705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.781705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.781705 (E_RNA) where: Base-Base interactions energy: -18.197 where: short stacking energy: -18.197 Base-Backbone interact. energy: -0.001 local terms energy: -24.583465 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -37.321795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.321795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.321795 (E_RNA) where: Base-Base interactions energy: -13.822 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.010 local terms energy: -23.489525 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -33.615610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.615610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.615610 (E_RNA) where: Base-Base interactions energy: -12.921 where: short stacking energy: -12.921 Base-Backbone interact. energy: -0.000 local terms energy: -20.694803 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.753 flat angles P-C4'-P energy: -3.957 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: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -37.429737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.429737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.429737 (E_RNA) where: Base-Base interactions energy: -13.530 where: short stacking energy: -13.530 Base-Backbone interact. energy: -0.000 local terms energy: -23.899520 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -4.270 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: 114 Temperature: 1.100000 Total energy: -34.325852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.325852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.325852 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.080 local terms energy: -22.074167 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -4.434 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: 6, replica: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -30.975131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.975131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.975131 (E_RNA) where: Base-Base interactions energy: -10.479 where: short stacking energy: -10.479 Base-Backbone interact. energy: -0.000 local terms energy: -20.495573 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -4.066 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: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -32.973769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.973769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.973769 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.008 local terms energy: -23.220600 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -34.445819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.445819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.445819 (E_RNA) where: Base-Base interactions energy: -11.198 where: short stacking energy: -11.198 Base-Backbone interact. energy: -0.049 local terms energy: -23.198991 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -5.318 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: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -30.749258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.749258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.749258 (E_RNA) where: Base-Base interactions energy: -12.937 where: short stacking energy: -12.937 Base-Backbone interact. energy: -0.003 local terms energy: -17.808988 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -1.630 tors. eta vs tors. theta energy: -0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -30.865000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.865000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.865000 (E_RNA) where: Base-Base interactions energy: -9.413 where: short stacking energy: -9.413 Base-Backbone interact. energy: -0.018 local terms energy: -21.434095 where: bonds (distance) C4'-P energy: -3.554 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.945 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: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -41.025833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.025833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.025833 (E_RNA) where: Base-Base interactions energy: -16.542 where: short stacking energy: -15.657 Base-Backbone interact. energy: -0.012 local terms energy: -24.472714 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -3.890 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: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -40.233083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.233083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.233083 (E_RNA) where: Base-Base interactions energy: -14.693 where: short stacking energy: -14.693 Base-Backbone interact. energy: -0.004 local terms energy: -25.536114 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -41.200316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.200316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.200316 (E_RNA) where: Base-Base interactions energy: -15.296 where: short stacking energy: -15.296 Base-Backbone interact. energy: -0.000 local terms energy: -25.904675 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.430 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: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -35.178724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.178724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.178724 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.518 Base-Backbone interact. energy: -0.000 local terms energy: -22.660994 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.480 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: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -35.667855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.667855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.667855 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -13.489 Base-Backbone interact. energy: -0.019 local terms energy: -22.159760 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.602 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: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -36.593036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.593036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.593036 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.000 local terms energy: -28.830841 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -6.319 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: 115 Temperature: 1.200000 Total energy: -35.395412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.395412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.395412 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.000 local terms energy: -24.783033 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -33.832920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.832920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.832920 (E_RNA) where: Base-Base interactions energy: -10.660 where: short stacking energy: -10.660 Base-Backbone interact. energy: -0.020 local terms energy: -23.153808 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -26.209095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.209095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.209095 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.057 local terms energy: -19.438147 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.300 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -27.000632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.000632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.000632 (E_RNA) where: Base-Base interactions energy: -5.140 where: short stacking energy: -5.140 Base-Backbone interact. energy: -0.098 local terms energy: -21.763197 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -41.386864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.386864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.386864 (E_RNA) where: Base-Base interactions energy: -17.515 where: short stacking energy: -17.515 Base-Backbone interact. energy: -0.000 local terms energy: -23.871540 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -4.458 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: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -37.439882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.439882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.439882 (E_RNA) where: Base-Base interactions energy: -13.255 where: short stacking energy: -13.255 Base-Backbone interact. energy: -0.000 local terms energy: -24.184256 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -38.892911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.892911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.892911 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.000 local terms energy: -24.736094 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -40.306811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.306811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.306811 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.479 Base-Backbone interact. energy: -0.000 local terms energy: -25.828191 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -34.810174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.810174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.810174 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.000 local terms energy: -26.193623 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -5.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -31.135320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.135320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.135320 (E_RNA) where: Base-Base interactions energy: -6.551 where: short stacking energy: -6.551 Base-Backbone interact. energy: -0.059 local terms energy: -24.525284 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -30.377651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.377651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.377651 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.000 local terms energy: -22.909876 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -31.231961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.231961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.231961 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.000 local terms energy: -20.997354 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -1.605 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -29.063253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.063253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.063253 (E_RNA) where: Base-Base interactions energy: -12.593 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.091 local terms energy: -16.379129 where: bonds (distance) C4'-P energy: -2.926 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: 0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -26.302941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.302941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.302941 (E_RNA) where: Base-Base interactions energy: -5.042 where: short stacking energy: -5.042 Base-Backbone interact. energy: -0.000 local terms energy: -21.261299 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -2.981 flat angles P-C4'-P energy: -3.738 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: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -41.029473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.029473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.029473 (E_RNA) where: Base-Base interactions energy: -17.214 where: short stacking energy: -17.214 Base-Backbone interact. energy: 1.032 local terms energy: -24.847902 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.398 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: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -39.004257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.004257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.004257 (E_RNA) where: Base-Base interactions energy: -14.569 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.002 local terms energy: -24.432769 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.776 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -5.168 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: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -43.330811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.330811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.330811 (E_RNA) where: Base-Base interactions energy: -17.558 where: short stacking energy: -17.558 Base-Backbone interact. energy: -0.000 local terms energy: -25.772571 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -37.495742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.495742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.495742 (E_RNA) where: Base-Base interactions energy: -14.009 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.011 local terms energy: -23.475493 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.308 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: 5, replica: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -35.878668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.878668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.878668 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.000 local terms energy: -21.791507 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -37.339161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.339161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.339161 (E_RNA) where: Base-Base interactions energy: -12.122 where: short stacking energy: -12.122 Base-Backbone interact. energy: -0.000 local terms energy: -25.217614 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -4.377 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: 7, replica: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -30.987174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.987174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.987174 (E_RNA) where: Base-Base interactions energy: -6.869 where: short stacking energy: -6.869 Base-Backbone interact. energy: -0.032 local terms energy: -24.086232 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -32.468298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.468298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.468298 (E_RNA) where: Base-Base interactions energy: -14.993 where: short stacking energy: -14.993 Base-Backbone interact. energy: -0.007 local terms energy: -17.469198 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -0.438 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: 9, replica: 5 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -30.252844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.252844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.252844 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.127 local terms energy: -19.426549 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -26.745466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.745466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.745466 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.080 local terms energy: -18.708493 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: 0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -35.547359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.547359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.547359 (E_RNA) where: Base-Base interactions energy: -10.207 where: short stacking energy: -10.207 Base-Backbone interact. energy: -0.066 local terms energy: -25.274544 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -36.159438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.159438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.159438 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: -0.008 local terms energy: -19.481887 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -2.666 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: 3, replica: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -33.729428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.729428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.729428 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.460 Base-Backbone interact. energy: -0.001 local terms energy: -21.268463 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -3.912 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: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -35.234430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.234430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.234430 (E_RNA) where: Base-Base interactions energy: -9.886 where: short stacking energy: -9.886 Base-Backbone interact. energy: -0.003 local terms energy: -25.345447 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -35.639893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.639893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.639893 (E_RNA) where: Base-Base interactions energy: -11.267 where: short stacking energy: -11.267 Base-Backbone interact. energy: -0.037 local terms energy: -24.335961 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -1.863 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: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -32.720654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.720654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.720654 (E_RNA) where: Base-Base interactions energy: -13.882 where: short stacking energy: -13.882 Base-Backbone interact. energy: -0.154 local terms energy: -18.684522 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -35.240182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.240182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.240182 (E_RNA) where: Base-Base interactions energy: -14.332 where: short stacking energy: -14.332 Base-Backbone interact. energy: -0.001 local terms energy: -20.906403 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -32.887539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.887539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.887539 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.000 local terms energy: -20.967825 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -30.181123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.181123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.181123 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.000 local terms energy: -21.752743 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -31.997680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.997680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.997680 (E_RNA) where: Base-Base interactions energy: -11.562 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.000 local terms energy: -20.435640 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -2.649 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: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -32.973235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.973235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.973235 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.001 local terms energy: -23.485886 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -34.597161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.597161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.597161 (E_RNA) where: Base-Base interactions energy: -9.475 where: short stacking energy: -9.475 Base-Backbone interact. energy: -0.102 local terms energy: -25.019882 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -4.451 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: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -42.014348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.014348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.014348 (E_RNA) where: Base-Base interactions energy: -18.419 where: short stacking energy: -18.419 Base-Backbone interact. energy: -0.000 local terms energy: -23.594983 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -6.081 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: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -35.634812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.634812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.634812 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.000 local terms energy: -21.477899 where: bonds (distance) C4'-P energy: -2.835 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -2.061 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: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -35.427464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.427464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.427464 (E_RNA) where: Base-Base interactions energy: -18.063 where: short stacking energy: -18.063 Base-Backbone interact. energy: -0.003 local terms energy: -17.361858 where: bonds (distance) C4'-P energy: -2.355 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -2.825 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -32.502289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.502289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.502289 (E_RNA) where: Base-Base interactions energy: -9.496 where: short stacking energy: -9.496 Base-Backbone interact. energy: -0.000 local terms energy: -23.006363 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -29.820600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.820600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.820600 (E_RNA) where: Base-Base interactions energy: -6.466 where: short stacking energy: -6.466 Base-Backbone interact. energy: -0.001 local terms energy: -23.354029 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -30.770769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.770769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.770769 (E_RNA) where: Base-Base interactions energy: -10.395 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.043 local terms energy: -20.333238 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: 0.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -25.369909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.369909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.369909 (E_RNA) where: Base-Base interactions energy: -4.161 where: short stacking energy: -4.161 Base-Backbone interact. energy: -0.000 local terms energy: -21.208643 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.762 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: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -25.748040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.748040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.748040 (E_RNA) where: Base-Base interactions energy: -8.426 where: short stacking energy: -8.426 Base-Backbone interact. energy: -0.022 local terms energy: -17.300103 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -3.395 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -3.923 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: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -35.193320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.193320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.193320 (E_RNA) where: Base-Base interactions energy: -8.088 where: short stacking energy: -8.088 Base-Backbone interact. energy: -0.010 local terms energy: -27.095141 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -36.438760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.438760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.438760 (E_RNA) where: Base-Base interactions energy: -12.113 where: short stacking energy: -12.113 Base-Backbone interact. energy: -0.000 local terms energy: -24.325907 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -35.846518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.846518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.846518 (E_RNA) where: Base-Base interactions energy: -12.146 where: short stacking energy: -12.146 Base-Backbone interact. energy: -0.033 local terms energy: -23.666783 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -35.975995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.975995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.975995 (E_RNA) where: Base-Base interactions energy: -13.449 where: short stacking energy: -13.449 Base-Backbone interact. energy: -0.115 local terms energy: -22.412799 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -32.574333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.574333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.574333 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.083 local terms energy: -20.954482 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -3.779 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: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -34.863797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.863797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.863797 (E_RNA) where: Base-Base interactions energy: -9.230 where: short stacking energy: -9.230 Base-Backbone interact. energy: -0.001 local terms energy: -25.632537 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -5.157 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: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -36.293428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.293428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.293428 (E_RNA) where: Base-Base interactions energy: -12.943 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.000 local terms energy: -23.350009 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -30.782740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.782740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.782740 (E_RNA) where: Base-Base interactions energy: -8.859 where: short stacking energy: -8.859 Base-Backbone interact. energy: -0.186 local terms energy: -21.737401 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: 1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -31.865618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.865618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.865618 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.033 local terms energy: -21.878816 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -4.029 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: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -30.509084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.509084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.509084 (E_RNA) where: Base-Base interactions energy: -8.874 where: short stacking energy: -8.874 Base-Backbone interact. energy: -0.193 local terms energy: -21.442309 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.804 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: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -43.320540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.320540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.320540 (E_RNA) where: Base-Base interactions energy: -18.250 where: short stacking energy: -18.250 Base-Backbone interact. energy: -0.000 local terms energy: -25.070464 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -3.852 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: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -37.025423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.025423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.025423 (E_RNA) where: Base-Base interactions energy: -10.882 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.001 local terms energy: -26.141958 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -36.806465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806465 (E_RNA) where: Base-Base interactions energy: -13.121 where: short stacking energy: -13.121 Base-Backbone interact. energy: -0.098 local terms energy: -23.587781 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.978 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: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -41.635140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.635140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.635140 (E_RNA) where: Base-Base interactions energy: -17.013 where: short stacking energy: -17.013 Base-Backbone interact. energy: -0.000 local terms energy: -24.621654 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -3.700 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: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -34.165312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.165312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.165312 (E_RNA) where: Base-Base interactions energy: -12.514 where: short stacking energy: -12.514 Base-Backbone interact. energy: -0.002 local terms energy: -21.649528 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -32.226807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.226807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.226807 (E_RNA) where: Base-Base interactions energy: -10.480 where: short stacking energy: -10.480 Base-Backbone interact. energy: -0.008 local terms energy: -21.738776 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.398 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -3.193 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: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -36.819424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.819424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.819424 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.000 local terms energy: -24.775656 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -29.008948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.008948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.008948 (E_RNA) where: Base-Base interactions energy: -8.765 where: short stacking energy: -8.765 Base-Backbone interact. energy: -0.000 local terms energy: -20.243128 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -39.666387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.666387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.666387 (E_RNA) where: Base-Base interactions energy: -12.972 where: short stacking energy: -12.958 Base-Backbone interact. energy: -0.000 local terms energy: -26.694111 where: bonds (distance) C4'-P energy: -4.520 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -5.849 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: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -29.698583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.698583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.698583 (E_RNA) where: Base-Base interactions energy: -8.125 where: short stacking energy: -8.125 Base-Backbone interact. energy: -0.034 local terms energy: -21.538845 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -3.205 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: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -33.779655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.779655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.779655 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: 0.622 local terms energy: -25.209296 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -5.230 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: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -36.884102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.884102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.884102 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.001 local terms energy: -22.720904 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -1.280 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: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -40.154489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.154489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.154489 (E_RNA) where: Base-Base interactions energy: -15.559 where: short stacking energy: -15.559 Base-Backbone interact. energy: -0.000 local terms energy: -24.595951 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -38.329922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.329922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.329922 (E_RNA) where: Base-Base interactions energy: -15.985 where: short stacking energy: -15.985 Base-Backbone interact. energy: -0.023 local terms energy: -22.322388 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -33.816376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.816376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.816376 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.000 local terms energy: -20.098700 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -5.345 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -34.499719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.499719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.499719 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.000 local terms energy: -22.584561 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -0.343 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -31.480393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.480393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.480393 (E_RNA) where: Base-Base interactions energy: -9.728 where: short stacking energy: -9.828 Base-Backbone interact. energy: -0.092 local terms energy: -21.659931 where: bonds (distance) C4'-P energy: -4.407 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.738 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: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -34.968737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.968737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.968737 (E_RNA) where: Base-Base interactions energy: -12.140 where: short stacking energy: -12.140 Base-Backbone interact. energy: -0.001 local terms energy: -22.827988 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.255 flat angles P-C4'-P energy: -4.880 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: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -30.040672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040672 (E_RNA) where: Base-Base interactions energy: -9.732 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.163 local terms energy: -20.145489 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -26.018225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.018225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.018225 (E_RNA) where: Base-Base interactions energy: -3.902 where: short stacking energy: -3.902 Base-Backbone interact. energy: -0.049 local terms energy: -22.067605 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -4.040 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: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -39.824495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.824495 (E_RNA) where: Base-Base interactions energy: -16.194 where: short stacking energy: -16.194 Base-Backbone interact. energy: -0.696 local terms energy: -22.935155 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.697 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: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -42.621104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.621104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.621104 (E_RNA) where: Base-Base interactions energy: -14.569 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.000 local terms energy: -28.052017 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -6.439 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: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -32.168575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168575 (E_RNA) where: Base-Base interactions energy: -12.434 where: short stacking energy: -12.434 Base-Backbone interact. energy: -0.071 local terms energy: -19.663624 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.208 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.662 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: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -35.781339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.781339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.781339 (E_RNA) where: Base-Base interactions energy: -13.276 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.013 local terms energy: -22.492107 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -4.028 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -32.831003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.831003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.831003 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.044 local terms energy: -20.026664 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.309 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: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -37.117986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.117986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.117986 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.000 local terms energy: -25.806499 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.077 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: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -35.777201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.777201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.777201 (E_RNA) where: Base-Base interactions energy: -12.206 where: short stacking energy: -12.206 Base-Backbone interact. energy: -0.007 local terms energy: -23.563337 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -32.653651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.653651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.653651 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.000 local terms energy: -22.333635 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -31.268114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.268114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.268114 (E_RNA) where: Base-Base interactions energy: -11.132 where: short stacking energy: -11.132 Base-Backbone interact. energy: -0.090 local terms energy: -20.046915 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -4.426 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -30.162571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.162571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.162571 (E_RNA) where: Base-Base interactions energy: -8.078 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.123 local terms energy: -21.961222 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -39.956192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.956192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.956192 (E_RNA) where: Base-Base interactions energy: -16.037 where: short stacking energy: -16.037 Base-Backbone interact. energy: -0.000 local terms energy: -23.918547 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -40.223974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.223974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.223974 (E_RNA) where: Base-Base interactions energy: -11.016 where: short stacking energy: -11.016 Base-Backbone interact. energy: -0.000 local terms energy: -29.207608 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -4.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -38.789501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.789501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.789501 (E_RNA) where: Base-Base interactions energy: -15.445 where: short stacking energy: -15.445 Base-Backbone interact. energy: -0.001 local terms energy: -23.344009 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.767 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: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -32.985689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.985689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.985689 (E_RNA) where: Base-Base interactions energy: -13.609 where: short stacking energy: -13.609 Base-Backbone interact. energy: -0.000 local terms energy: -19.376259 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -1.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -36.688587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.688587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.688587 (E_RNA) where: Base-Base interactions energy: -15.683 where: short stacking energy: -15.683 Base-Backbone interact. energy: -0.000 local terms energy: -21.005162 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -0.605 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -34.918907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.918907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.918907 (E_RNA) where: Base-Base interactions energy: -12.770 where: short stacking energy: -12.770 Base-Backbone interact. energy: -0.012 local terms energy: -22.137042 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -34.687413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.687413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.687413 (E_RNA) where: Base-Base interactions energy: -12.690 where: short stacking energy: -12.690 Base-Backbone interact. energy: 0.067 local terms energy: -22.064335 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -29.349857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.349857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.349857 (E_RNA) where: Base-Base interactions energy: -10.264 where: short stacking energy: -10.264 Base-Backbone interact. energy: -0.096 local terms energy: -18.989576 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.414 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: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -30.166065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.166065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.166065 (E_RNA) where: Base-Base interactions energy: -7.789 where: short stacking energy: -7.789 Base-Backbone interact. energy: -0.192 local terms energy: -22.184841 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.093 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: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -32.410282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.410282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.410282 (E_RNA) where: Base-Base interactions energy: -9.651 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.003 local terms energy: -22.756137 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -37.919158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.919158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.919158 (E_RNA) where: Base-Base interactions energy: -13.835 where: short stacking energy: -13.835 Base-Backbone interact. energy: -0.068 local terms energy: -24.015869 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.811 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: 2, replica: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -35.488601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.488601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.488601 (E_RNA) where: Base-Base interactions energy: -12.918 where: short stacking energy: -12.918 Base-Backbone interact. energy: -0.043 local terms energy: -22.527932 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -37.623371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.623371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.623371 (E_RNA) where: Base-Base interactions energy: -14.786 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.001 local terms energy: -22.836491 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.180 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: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -37.764253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.764253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.764253 (E_RNA) where: Base-Base interactions energy: -13.799 where: short stacking energy: -13.799 Base-Backbone interact. energy: -0.000 local terms energy: -23.964559 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -36.432778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.432778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.432778 (E_RNA) where: Base-Base interactions energy: -11.438 where: short stacking energy: -11.438 Base-Backbone interact. energy: -0.000 local terms energy: -24.994713 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -36.388961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.388961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.388961 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: 0.570 local terms energy: -24.761988 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -4.719 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: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -32.753355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.753355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.753355 (E_RNA) where: Base-Base interactions energy: -12.114 where: short stacking energy: -12.114 Base-Backbone interact. energy: -0.004 local terms energy: -20.635829 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.232 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: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -27.964736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.964736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.964736 (E_RNA) where: Base-Base interactions energy: -5.754 where: short stacking energy: -5.754 Base-Backbone interact. energy: -0.842 local terms energy: -21.367935 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: 0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -28.884952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.884952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.884952 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.156 local terms energy: -18.637219 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -29.973387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973387 (E_RNA) where: Base-Base interactions energy: -7.032 where: short stacking energy: -7.032 Base-Backbone interact. energy: -0.007 local terms energy: -22.934540 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -39.304957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.304957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.304957 (E_RNA) where: Base-Base interactions energy: -15.480 where: short stacking energy: -15.480 Base-Backbone interact. energy: -0.034 local terms energy: -23.790892 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -3.522 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: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -34.938995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.938995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.938995 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.096 local terms energy: -19.897879 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -35.761943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.761943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.761943 (E_RNA) where: Base-Base interactions energy: -11.992 where: short stacking energy: -11.992 Base-Backbone interact. energy: -0.000 local terms energy: -23.769653 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.745 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: 4, replica: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -36.023492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.023492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.023492 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -13.452 Base-Backbone interact. energy: 0.118 local terms energy: -22.689112 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.811 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: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -37.418623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.418623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.418623 (E_RNA) where: Base-Base interactions energy: -12.845 where: short stacking energy: -12.845 Base-Backbone interact. energy: 1.429 local terms energy: -26.003339 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -31.779818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.779818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.779818 (E_RNA) where: Base-Base interactions energy: -10.105 where: short stacking energy: -10.105 Base-Backbone interact. energy: -0.000 local terms energy: -21.674563 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -33.105351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.105351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.105351 (E_RNA) where: Base-Base interactions energy: -13.177 where: short stacking energy: -13.177 Base-Backbone interact. energy: -0.002 local terms energy: -19.926004 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -32.965228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.965228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.965228 (E_RNA) where: Base-Base interactions energy: -13.496 where: short stacking energy: -13.496 Base-Backbone interact. energy: -0.001 local terms energy: -19.467471 where: bonds (distance) C4'-P energy: -2.057 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -36.918965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.918965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.918965 (E_RNA) where: Base-Base interactions energy: -14.009 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.000 local terms energy: -22.909654 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -4.404 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: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -27.695104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.695104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.695104 (E_RNA) where: Base-Base interactions energy: -8.577 where: short stacking energy: -8.577 Base-Backbone interact. energy: -0.005 local terms energy: -19.112934 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -4.475 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: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -37.087014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.087014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.087014 (E_RNA) where: Base-Base interactions energy: -13.825 where: short stacking energy: -13.825 Base-Backbone interact. energy: -0.000 local terms energy: -23.261759 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -37.627776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.627776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.627776 (E_RNA) where: Base-Base interactions energy: -12.710 where: short stacking energy: -12.710 Base-Backbone interact. energy: -0.008 local terms energy: -24.909311 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -39.165397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.165397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.165397 (E_RNA) where: Base-Base interactions energy: -16.828 where: short stacking energy: -16.828 Base-Backbone interact. energy: -0.267 local terms energy: -22.070212 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -36.190556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.190556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.190556 (E_RNA) where: Base-Base interactions energy: -15.770 where: short stacking energy: -15.770 Base-Backbone interact. energy: -0.015 local terms energy: -20.405503 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -1.973 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: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -34.549856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.549856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.549856 (E_RNA) where: Base-Base interactions energy: -9.895 where: short stacking energy: -9.895 Base-Backbone interact. energy: -0.093 local terms energy: -24.562279 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -4.107 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: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -37.241695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.241695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.241695 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.000 local terms energy: -24.247612 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.130 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: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -31.842741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.842741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.842741 (E_RNA) where: Base-Base interactions energy: -10.517 where: short stacking energy: -10.517 Base-Backbone interact. energy: -0.031 local terms energy: -21.294400 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.028 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -30.893227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.893227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.893227 (E_RNA) where: Base-Base interactions energy: -8.832 where: short stacking energy: -8.832 Base-Backbone interact. energy: -0.418 local terms energy: -21.642682 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.396 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: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -34.623791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.623791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.623791 (E_RNA) where: Base-Base interactions energy: -14.078 where: short stacking energy: -14.078 Base-Backbone interact. energy: -0.001 local terms energy: -20.545376 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -26.232455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.232455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.232455 (E_RNA) where: Base-Base interactions energy: -4.092 where: short stacking energy: -4.092 Base-Backbone interact. energy: -0.025 local terms energy: -22.115685 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -42.710857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.710857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.710857 (E_RNA) where: Base-Base interactions energy: -16.335 where: short stacking energy: -16.335 Base-Backbone interact. energy: -0.000 local terms energy: -26.376348 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -1.703 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -38.993618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.993618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.993618 (E_RNA) where: Base-Base interactions energy: -16.596 where: short stacking energy: -16.596 Base-Backbone interact. energy: -0.005 local terms energy: -22.392306 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.404 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: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -35.894446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.894446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.894446 (E_RNA) where: Base-Base interactions energy: -13.669 where: short stacking energy: -13.669 Base-Backbone interact. energy: -0.002 local terms energy: -22.223180 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.350 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.086 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: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -38.735079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.735079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.735079 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -16.982 Base-Backbone interact. energy: -0.018 local terms energy: -21.734970 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.737 flat angles P-C4'-P energy: -3.653 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: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -37.747746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.747746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.747746 (E_RNA) where: Base-Base interactions energy: -12.341 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.000 local terms energy: -25.406652 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.411 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: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -33.350985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.350985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.350985 (E_RNA) where: Base-Base interactions energy: -13.243 where: short stacking energy: -13.243 Base-Backbone interact. energy: -0.001 local terms energy: -20.107241 where: bonds (distance) C4'-P energy: -2.893 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.167 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: 10 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -38.516047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.516047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.516047 (E_RNA) where: Base-Base interactions energy: -13.095 where: short stacking energy: -13.095 Base-Backbone interact. energy: -0.000 local terms energy: -25.421271 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -4.869 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: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -32.608087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608087 (E_RNA) where: Base-Base interactions energy: -14.550 where: short stacking energy: -14.550 Base-Backbone interact. energy: -0.001 local terms energy: -18.056503 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -3.687 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -29.392570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.392570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.392570 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -8.226 Base-Backbone interact. energy: -0.068 local terms energy: -19.433763 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -28.391301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.391301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.391301 (E_RNA) where: Base-Base interactions energy: -11.170 where: short stacking energy: -11.170 Base-Backbone interact. energy: -0.102 local terms energy: -17.118856 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: 1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -42.502321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.502321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.502321 (E_RNA) where: Base-Base interactions energy: -16.971 where: short stacking energy: -16.971 Base-Backbone interact. energy: -0.025 local terms energy: -25.505824 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -40.588562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.588562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.588562 (E_RNA) where: Base-Base interactions energy: -18.700 where: short stacking energy: -18.700 Base-Backbone interact. energy: -0.001 local terms energy: -21.886914 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -36.501712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.501712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.501712 (E_RNA) where: Base-Base interactions energy: -13.595 where: short stacking energy: -13.595 Base-Backbone interact. energy: -0.000 local terms energy: -22.906107 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -4.504 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -35.147798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.147798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.147798 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.000 local terms energy: -21.287522 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -2.365 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -34.303762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.303762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.303762 (E_RNA) where: Base-Base interactions energy: -12.773 where: short stacking energy: -12.773 Base-Backbone interact. energy: 0.923 local terms energy: -22.453734 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -5.366 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: 6, replica: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -31.886657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.886657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.886657 (E_RNA) where: Base-Base interactions energy: -10.546 where: short stacking energy: -10.546 Base-Backbone interact. energy: -0.018 local terms energy: -21.322654 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.814 flat angles P-C4'-P energy: -4.589 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: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -35.407598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.407598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.407598 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.009 local terms energy: -21.196997 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.809 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: 129 Temperature: 1.250000 Total energy: -31.605892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.605892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.605892 (E_RNA) where: Base-Base interactions energy: -9.919 where: short stacking energy: -9.919 Base-Backbone interact. energy: -0.000 local terms energy: -21.687061 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.908 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -28.722367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.722367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.722367 (E_RNA) where: Base-Base interactions energy: -6.187 where: short stacking energy: -4.036 Base-Backbone interact. energy: -0.128 local terms energy: -22.406558 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -31.964173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.964173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.964173 (E_RNA) where: Base-Base interactions energy: -8.237 where: short stacking energy: -8.237 Base-Backbone interact. energy: -0.038 local terms energy: -23.688914 where: bonds (distance) C4'-P energy: -3.196 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -40.411220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.411220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.411220 (E_RNA) where: Base-Base interactions energy: -15.807 where: short stacking energy: -15.807 Base-Backbone interact. energy: -0.217 local terms energy: -24.387034 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.598 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: 2, replica: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -36.829942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.829942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.829942 (E_RNA) where: Base-Base interactions energy: -14.146 where: short stacking energy: -14.146 Base-Backbone interact. energy: -0.027 local terms energy: -22.657379 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -1.833 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -34.825744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.825744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.825744 (E_RNA) where: Base-Base interactions energy: -10.727 where: short stacking energy: -10.727 Base-Backbone interact. energy: -0.000 local terms energy: -24.098547 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -36.642485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.642485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.642485 (E_RNA) where: Base-Base interactions energy: -15.321 where: short stacking energy: -15.321 Base-Backbone interact. energy: -0.024 local terms energy: -21.297806 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.771 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: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -35.412848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.412848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.412848 (E_RNA) where: Base-Base interactions energy: -12.382 where: short stacking energy: -12.382 Base-Backbone interact. energy: -0.000 local terms energy: -23.030048 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -3.830 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: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -33.557675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.557675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.557675 (E_RNA) where: Base-Base interactions energy: -13.477 where: short stacking energy: -13.477 Base-Backbone interact. energy: -0.009 local terms energy: -20.072147 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -2.918 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -31.780811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.780811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.780811 (E_RNA) where: Base-Base interactions energy: -8.799 where: short stacking energy: -8.799 Base-Backbone interact. energy: -0.012 local terms energy: -22.969736 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: 0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -30.336211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.336211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.336211 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.034 local terms energy: -21.336920 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -35.653385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.653385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.653385 (E_RNA) where: Base-Base interactions energy: -12.207 where: short stacking energy: -12.207 Base-Backbone interact. energy: -0.000 local terms energy: -23.446341 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.720 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: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -27.290177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.290177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.290177 (E_RNA) where: Base-Base interactions energy: -11.626 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.001 local terms energy: -15.663380 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -3.907 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: 0.039 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: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -41.306469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.306469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.306469 (E_RNA) where: Base-Base interactions energy: -17.155 where: short stacking energy: -17.155 Base-Backbone interact. energy: 0.070 local terms energy: -24.221915 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -39.441742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.441742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.441742 (E_RNA) where: Base-Base interactions energy: -15.904 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.079 local terms energy: -23.458551 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -38.467681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.467681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.467681 (E_RNA) where: Base-Base interactions energy: -13.640 where: short stacking energy: -13.640 Base-Backbone interact. energy: -0.000 local terms energy: -24.827500 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -37.851694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.851694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.851694 (E_RNA) where: Base-Base interactions energy: -12.944 where: short stacking energy: -12.944 Base-Backbone interact. energy: -0.000 local terms energy: -24.907907 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -33.170294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.170294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.170294 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.000 local terms energy: -21.483170 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -4.687 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: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -32.519010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.519010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.519010 (E_RNA) where: Base-Base interactions energy: -8.878 where: short stacking energy: -9.091 Base-Backbone interact. energy: -0.347 local terms energy: -23.294582 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -32.343386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.343386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.343386 (E_RNA) where: Base-Base interactions energy: -11.464 where: short stacking energy: -11.464 Base-Backbone interact. energy: -0.459 local terms energy: -20.419577 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -2.951 flat angles P-C4'-P energy: -3.784 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: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -28.394316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.394316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.394316 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.003 local terms energy: -20.923410 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.808 flat angles P-C4'-P energy: -4.981 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: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -31.344162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.344162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.344162 (E_RNA) where: Base-Base interactions energy: -10.019 where: short stacking energy: -10.019 Base-Backbone interact. energy: -0.120 local terms energy: -21.205284 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -30.672639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.672639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.672639 (E_RNA) where: Base-Base interactions energy: -11.256 where: short stacking energy: -11.256 Base-Backbone interact. energy: -0.000 local terms energy: -19.416281 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -1.337 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -44.424028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.424028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.424028 (E_RNA) where: Base-Base interactions energy: -17.469 where: short stacking energy: -17.469 Base-Backbone interact. energy: -0.001 local terms energy: -26.954611 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -43.176686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.176686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.176686 (E_RNA) where: Base-Base interactions energy: -17.203 where: short stacking energy: -17.203 Base-Backbone interact. energy: -0.000 local terms energy: -25.973856 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.377 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -36.753678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753678 (E_RNA) where: Base-Base interactions energy: -17.238 where: short stacking energy: -17.238 Base-Backbone interact. energy: -0.040 local terms energy: -19.475317 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.523 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -36.014044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.014044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.014044 (E_RNA) where: Base-Base interactions energy: -13.587 where: short stacking energy: -13.587 Base-Backbone interact. energy: -0.070 local terms energy: -22.356976 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -33.148781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.148781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.148781 (E_RNA) where: Base-Base interactions energy: -14.357 where: short stacking energy: -12.905 Base-Backbone interact. energy: -0.000 local terms energy: -18.790977 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -33.120064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.120064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.120064 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.064 local terms energy: -20.611134 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -3.501 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: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -32.058746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.058746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.058746 (E_RNA) where: Base-Base interactions energy: -10.192 where: short stacking energy: -10.192 Base-Backbone interact. energy: -0.072 local terms energy: -21.794506 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -34.502936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.502936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.502936 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.000 local terms energy: -26.979589 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -5.268 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: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -32.435282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.435282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.435282 (E_RNA) where: Base-Base interactions energy: -12.181 where: short stacking energy: -12.181 Base-Backbone interact. energy: -0.004 local terms energy: -20.250677 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -2.140 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -30.387663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.387663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.387663 (E_RNA) where: Base-Base interactions energy: -11.844 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.000 local terms energy: -18.543612 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -0.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -39.647013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.647013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.647013 (E_RNA) where: Base-Base interactions energy: -15.067 where: short stacking energy: -15.067 Base-Backbone interact. energy: -0.000 local terms energy: -24.580220 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -3.205 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: 2, replica: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -37.983563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.983563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.983563 (E_RNA) where: Base-Base interactions energy: -12.852 where: short stacking energy: -12.852 Base-Backbone interact. energy: -0.000 local terms energy: -25.131203 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -35.903516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.903516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.903516 (E_RNA) where: Base-Base interactions energy: -11.514 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.393 local terms energy: -23.996117 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.684 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: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -34.217069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.217069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.217069 (E_RNA) where: Base-Base interactions energy: -10.810 where: short stacking energy: -10.810 Base-Backbone interact. energy: -0.080 local terms energy: -23.326868 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -32.142350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.142350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.142350 (E_RNA) where: Base-Base interactions energy: -9.677 where: short stacking energy: -9.677 Base-Backbone interact. energy: -0.000 local terms energy: -22.465590 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -34.626044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.626044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.626044 (E_RNA) where: Base-Base interactions energy: -13.762 where: short stacking energy: -13.762 Base-Backbone interact. energy: -0.000 local terms energy: -20.864012 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.252 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -2.575 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: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -32.793193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.793193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.793193 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.003 local terms energy: -21.064765 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -37.428173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.428173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.428173 (E_RNA) where: Base-Base interactions energy: -16.548 where: short stacking energy: -16.548 Base-Backbone interact. energy: -0.000 local terms energy: -20.880403 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -28.809132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.809132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.809132 (E_RNA) where: Base-Base interactions energy: -9.630 where: short stacking energy: -9.630 Base-Backbone interact. energy: -1.003 local terms energy: -18.176808 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: 1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -30.268533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.268533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.268533 (E_RNA) where: Base-Base interactions energy: -9.803 where: short stacking energy: -9.803 Base-Backbone interact. energy: 0.734 local terms energy: -21.199774 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.630 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -36.153177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153177 (E_RNA) where: Base-Base interactions energy: -12.429 where: short stacking energy: -12.872 Base-Backbone interact. energy: -0.013 local terms energy: -23.711163 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.884 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: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -34.411863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.411863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.411863 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.083 local terms energy: -26.214130 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -4.292 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: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -36.793460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.793460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.793460 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.000 local terms energy: -24.824483 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -3.805 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: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -33.920036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.920036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.920036 (E_RNA) where: Base-Base interactions energy: -12.122 where: short stacking energy: -12.122 Base-Backbone interact. energy: -0.000 local terms energy: -21.797412 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -32.527978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.527978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.527978 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.000 local terms energy: -20.331237 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -4.699 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: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -31.783712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.783712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.783712 (E_RNA) where: Base-Base interactions energy: -9.765 where: short stacking energy: -9.765 Base-Backbone interact. energy: 0.587 local terms energy: -22.606012 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.543 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: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -25.617321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.617321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.617321 (E_RNA) where: Base-Base interactions energy: -4.631 where: short stacking energy: -4.631 Base-Backbone interact. energy: -0.181 local terms energy: -20.805141 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -5.174 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: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -32.880639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.880639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.880639 (E_RNA) where: Base-Base interactions energy: -12.730 where: short stacking energy: -12.730 Base-Backbone interact. energy: -0.000 local terms energy: -20.150178 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -31.156895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.156895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.156895 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.097 local terms energy: -21.915174 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -27.250835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.250835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.250835 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: 0.129 local terms energy: -19.653335 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: 1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -38.522077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.522077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.522077 (E_RNA) where: Base-Base interactions energy: -12.657 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.000 local terms energy: -25.865300 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -3.193 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: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -40.344203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.344203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.344203 (E_RNA) where: Base-Base interactions energy: -15.354 where: short stacking energy: -15.354 Base-Backbone interact. energy: -0.001 local terms energy: -24.990021 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -34.552730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.552730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.552730 (E_RNA) where: Base-Base interactions energy: -8.038 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.000 local terms energy: -26.514623 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -34.921065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.921065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.921065 (E_RNA) where: Base-Base interactions energy: -9.485 where: short stacking energy: -9.575 Base-Backbone interact. energy: -0.077 local terms energy: -25.359203 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -5.030 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: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -34.395653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.395653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.395653 (E_RNA) where: Base-Base interactions energy: -13.270 where: short stacking energy: -13.270 Base-Backbone interact. energy: -0.057 local terms energy: -21.069047 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -31.659652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.659652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.659652 (E_RNA) where: Base-Base interactions energy: -10.146 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.431 local terms energy: -21.082672 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.288 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: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -29.070376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.070376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.070376 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.024 local terms energy: -21.875360 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -3.170 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: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -29.020466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.020466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.020466 (E_RNA) where: Base-Base interactions energy: -10.607 where: short stacking energy: -10.607 Base-Backbone interact. energy: -0.015 local terms energy: -18.398920 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: 0.110 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: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -33.791175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.791175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.791175 (E_RNA) where: Base-Base interactions energy: -12.818 where: short stacking energy: -12.818 Base-Backbone interact. energy: -0.079 local terms energy: -20.894212 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -4.840 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -3.629 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: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -29.434938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.434938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.434938 (E_RNA) where: Base-Base interactions energy: -14.968 where: short stacking energy: -14.968 Base-Backbone interact. energy: -0.010 local terms energy: -14.457560 where: bonds (distance) C4'-P energy: -3.538 bonds (distance) P-C4' energy: -0.723 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -36.764934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.764934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.764934 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.004 local terms energy: -23.510055 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -37.587317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.587317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.587317 (E_RNA) where: Base-Base interactions energy: -12.643 where: short stacking energy: -12.643 Base-Backbone interact. energy: -0.000 local terms energy: -24.944521 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.447 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: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -36.275247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.275247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.275247 (E_RNA) where: Base-Base interactions energy: -12.868 where: short stacking energy: -12.868 Base-Backbone interact. energy: -0.020 local terms energy: -23.387352 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -34.046543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.046543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.046543 (E_RNA) where: Base-Base interactions energy: -9.520 where: short stacking energy: -9.520 Base-Backbone interact. energy: -0.172 local terms energy: -24.355112 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -4.942 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: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -34.691723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.691723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.691723 (E_RNA) where: Base-Base interactions energy: -11.641 where: short stacking energy: -11.641 Base-Backbone interact. energy: -0.000 local terms energy: -23.050402 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -3.937 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: 6, replica: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -35.411724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.411724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.411724 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.000 local terms energy: -20.733132 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -0.845 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: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -30.914663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.914663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.914663 (E_RNA) where: Base-Base interactions energy: -9.377 where: short stacking energy: -9.377 Base-Backbone interact. energy: -0.075 local terms energy: -21.462790 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.630 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: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -33.568501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.568501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.568501 (E_RNA) where: Base-Base interactions energy: -9.646 where: short stacking energy: -9.646 Base-Backbone interact. energy: 0.256 local terms energy: -24.178907 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -26.229706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.229706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.229706 (E_RNA) where: Base-Base interactions energy: -5.247 where: short stacking energy: -4.680 Base-Backbone interact. energy: -0.412 local terms energy: -20.570415 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.625 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: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -27.882047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.882047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.882047 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -7.228 Base-Backbone interact. energy: -0.098 local terms energy: -20.555462 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -3.520 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: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -40.694325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.694325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.694325 (E_RNA) where: Base-Base interactions energy: -16.795 where: short stacking energy: -16.795 Base-Backbone interact. energy: -0.000 local terms energy: -23.899024 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -2.665 flat angles P-C4'-P energy: -3.522 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: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -40.610665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.610665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.610665 (E_RNA) where: Base-Base interactions energy: -14.106 where: short stacking energy: -14.106 Base-Backbone interact. energy: -0.082 local terms energy: -26.422564 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -4.171 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: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -39.214035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.214035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.214035 (E_RNA) where: Base-Base interactions energy: -14.376 where: short stacking energy: -14.376 Base-Backbone interact. energy: -0.000 local terms energy: -24.837504 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -36.779720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.779720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.779720 (E_RNA) where: Base-Base interactions energy: -16.745 where: short stacking energy: -16.745 Base-Backbone interact. energy: -0.001 local terms energy: -20.033361 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -32.828606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.828606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.828606 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -8.357 Base-Backbone interact. energy: -0.296 local terms energy: -24.175093 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -2.859 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -36.882332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.882332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.882332 (E_RNA) where: Base-Base interactions energy: -15.576 where: short stacking energy: -15.576 Base-Backbone interact. energy: -0.000 local terms energy: -21.306772 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.399 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: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -35.667273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.667273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.667273 (E_RNA) where: Base-Base interactions energy: -12.294 where: short stacking energy: -12.294 Base-Backbone interact. energy: -0.001 local terms energy: -23.372369 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.233 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.321 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: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -28.763546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.763546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.763546 (E_RNA) where: Base-Base interactions energy: -9.417 where: short stacking energy: -8.356 Base-Backbone interact. energy: -0.004 local terms energy: -19.341968 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -0.737 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: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -29.501209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.501209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.501209 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.100 local terms energy: -22.022840 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -3.662 flat angles P-C4'-P energy: -3.674 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: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -26.870712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.870712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.870712 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.002 local terms energy: -18.042174 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -40.887636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.887636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.887636 (E_RNA) where: Base-Base interactions energy: -15.633 where: short stacking energy: -15.633 Base-Backbone interact. energy: -0.000 local terms energy: -25.254525 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -35.442597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.442597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.442597 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: -0.004 local terms energy: -23.291872 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -3.484 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: 3, replica: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -36.134605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.134605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.134605 (E_RNA) where: Base-Base interactions energy: -11.886 where: short stacking energy: -12.169 Base-Backbone interact. energy: -0.008 local terms energy: -24.240253 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -36.773250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.773250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.773250 (E_RNA) where: Base-Base interactions energy: -13.508 where: short stacking energy: -13.508 Base-Backbone interact. energy: -0.003 local terms energy: -23.262767 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -2.998 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: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -35.246495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.246495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.246495 (E_RNA) where: Base-Base interactions energy: -12.025 where: short stacking energy: -12.025 Base-Backbone interact. energy: -0.001 local terms energy: -23.221105 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -3.961 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: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -32.945569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.945569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.945569 (E_RNA) where: Base-Base interactions energy: -9.333 where: short stacking energy: -9.333 Base-Backbone interact. energy: -0.003 local terms energy: -23.610336 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -31.567670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.567670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.567670 (E_RNA) where: Base-Base interactions energy: -10.325 where: short stacking energy: -10.325 Base-Backbone interact. energy: -0.010 local terms energy: -21.232695 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -31.719002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.719002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.719002 (E_RNA) where: Base-Base interactions energy: -9.030 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.026 local terms energy: -22.662545 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -30.919352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.919352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.919352 (E_RNA) where: Base-Base interactions energy: -11.978 where: short stacking energy: -11.978 Base-Backbone interact. energy: -0.003 local terms energy: -18.938337 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -2.668 flat angles P-C4'-P energy: -2.855 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: 10, replica: 6 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -29.715110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.715110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.715110 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.006 local terms energy: -16.622730 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: 1.243 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -37.699196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.699196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.699196 (E_RNA) where: Base-Base interactions energy: -14.937 where: short stacking energy: -14.937 Base-Backbone interact. energy: -0.028 local terms energy: -22.733980 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -43.466085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.466085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.466085 (E_RNA) where: Base-Base interactions energy: -15.253 where: short stacking energy: -15.253 Base-Backbone interact. energy: -0.000 local terms energy: -28.213049 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -6.497 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: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -35.770751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.770751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.770751 (E_RNA) where: Base-Base interactions energy: -13.097 where: short stacking energy: -13.097 Base-Backbone interact. energy: -0.097 local terms energy: -22.576527 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -41.318607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.318607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.318607 (E_RNA) where: Base-Base interactions energy: -16.698 where: short stacking energy: -16.698 Base-Backbone interact. energy: -0.000 local terms energy: -24.620429 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -33.548379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.548379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.548379 (E_RNA) where: Base-Base interactions energy: -12.084 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.002 local terms energy: -21.462670 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -31.625869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.625869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.625869 (E_RNA) where: Base-Base interactions energy: -12.047 where: short stacking energy: -12.047 Base-Backbone interact. energy: 1.343 local terms energy: -20.921988 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: 0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -30.854037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.854037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.854037 (E_RNA) where: Base-Base interactions energy: -8.941 where: short stacking energy: -8.941 Base-Backbone interact. energy: -0.000 local terms energy: -21.912177 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -3.218 flat angles P-C4'-P energy: -4.738 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: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -32.069790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.069790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.069790 (E_RNA) where: Base-Base interactions energy: -13.124 where: short stacking energy: -13.124 Base-Backbone interact. energy: 0.702 local terms energy: -19.647498 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -4.495 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: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -34.147785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.147785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.147785 (E_RNA) where: Base-Base interactions energy: -9.716 where: short stacking energy: -9.716 Base-Backbone interact. energy: -0.873 local terms energy: -23.558790 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -28.217200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.217200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.217200 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.075 local terms energy: -17.683109 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: 0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -37.675659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.675659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.675659 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: -0.004 local terms energy: -25.524490 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -4.167 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: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -34.755408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.755408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.755408 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.094 local terms energy: -23.714217 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -4.609 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: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -36.538369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.538369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.538369 (E_RNA) where: Base-Base interactions energy: -14.249 where: short stacking energy: -14.249 Base-Backbone interact. energy: -0.000 local terms energy: -22.289051 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -4.341 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: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -34.734103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.734103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.734103 (E_RNA) where: Base-Base interactions energy: -13.933 where: short stacking energy: -13.933 Base-Backbone interact. energy: -0.000 local terms energy: -20.800964 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -32.756538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.756538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.756538 (E_RNA) where: Base-Base interactions energy: -14.232 where: short stacking energy: -14.232 Base-Backbone interact. energy: -0.000 local terms energy: -18.524796 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -0.963 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -33.769110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.769110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.769110 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.008 local terms energy: -20.762211 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -3.040 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: 7, replica: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -32.769569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.769569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.769569 (E_RNA) where: Base-Base interactions energy: -10.157 where: short stacking energy: -10.157 Base-Backbone interact. energy: -0.000 local terms energy: -22.612278 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -34.471235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.471235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.471235 (E_RNA) where: Base-Base interactions energy: -9.871 where: short stacking energy: -9.871 Base-Backbone interact. energy: -0.012 local terms energy: -24.587948 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -31.357770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.357770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.357770 (E_RNA) where: Base-Base interactions energy: -9.018 where: short stacking energy: -9.018 Base-Backbone interact. energy: -0.001 local terms energy: -22.338343 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -35.349145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.349145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.349145 (E_RNA) where: Base-Base interactions energy: -15.392 where: short stacking energy: -16.105 Base-Backbone interact. energy: -0.001 local terms energy: -19.956631 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -1.152 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -38.854820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.854820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.854820 (E_RNA) where: Base-Base interactions energy: -13.915 where: short stacking energy: -13.915 Base-Backbone interact. energy: -0.000 local terms energy: -24.939604 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -4.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -34.735037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.735037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.735037 (E_RNA) where: Base-Base interactions energy: -15.387 where: short stacking energy: -14.024 Base-Backbone interact. energy: -0.065 local terms energy: -19.282516 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -4.615 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: 3, replica: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -34.650977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.650977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.650977 (E_RNA) where: Base-Base interactions energy: -10.059 where: short stacking energy: -10.059 Base-Backbone interact. energy: -0.020 local terms energy: -24.571079 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -43.034566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.034566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.034566 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -17.586 Base-Backbone interact. energy: -0.000 local terms energy: -25.448935 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.005 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: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -31.437500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.437500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.437500 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.000 local terms energy: -20.330631 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -1.662 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -4.467 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: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -33.798127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.798127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.798127 (E_RNA) where: Base-Base interactions energy: -12.562 where: short stacking energy: -12.562 Base-Backbone interact. energy: -0.000 local terms energy: -21.235887 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -31.041461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.041461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.041461 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.073 local terms energy: -19.258654 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.333 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -33.420597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.420597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.420597 (E_RNA) where: Base-Base interactions energy: -11.325 where: short stacking energy: -11.325 Base-Backbone interact. energy: -0.000 local terms energy: -22.094754 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -33.410628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410628 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.012 local terms energy: -20.660073 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -31.600259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.600259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.600259 (E_RNA) where: Base-Base interactions energy: -5.931 where: short stacking energy: -5.931 Base-Backbone interact. energy: -0.088 local terms energy: -25.580387 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.339 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: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -37.933186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.933186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.933186 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.067 local terms energy: -26.593600 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -39.429157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.429157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.429157 (E_RNA) where: Base-Base interactions energy: -15.290 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.001 local terms energy: -24.138830 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -42.065882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.065882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.065882 (E_RNA) where: Base-Base interactions energy: -16.962 where: short stacking energy: -16.962 Base-Backbone interact. energy: -0.000 local terms energy: -25.104247 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.296 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: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -40.293387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.293387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.293387 (E_RNA) where: Base-Base interactions energy: -13.537 where: short stacking energy: -13.537 Base-Backbone interact. energy: -0.000 local terms energy: -26.755627 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.657 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: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -37.370594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.370594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.370594 (E_RNA) where: Base-Base interactions energy: -12.938 where: short stacking energy: -12.938 Base-Backbone interact. energy: 0.140 local terms energy: -24.572473 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -35.619978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.619978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.619978 (E_RNA) where: Base-Base interactions energy: -12.517 where: short stacking energy: -12.517 Base-Backbone interact. energy: -0.002 local terms energy: -23.100581 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -2.505 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: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -34.525887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.525887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.525887 (E_RNA) where: Base-Base interactions energy: -12.839 where: short stacking energy: -12.839 Base-Backbone interact. energy: -0.000 local terms energy: -21.686979 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -1.857 flat angles P-C4'-P energy: -4.364 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: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -28.352274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.352274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.352274 (E_RNA) where: Base-Base interactions energy: -8.665 where: short stacking energy: -8.665 Base-Backbone interact. energy: -0.000 local terms energy: -19.687411 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -1.870 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: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -30.079276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.079276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.079276 (E_RNA) where: Base-Base interactions energy: -10.016 where: short stacking energy: -9.748 Base-Backbone interact. energy: -0.010 local terms energy: -20.052937 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -37.003389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.003389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.003389 (E_RNA) where: Base-Base interactions energy: -14.630 where: short stacking energy: -14.630 Base-Backbone interact. energy: -0.036 local terms energy: -22.337347 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -3.421 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: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -41.418414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.418414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.418414 (E_RNA) where: Base-Base interactions energy: -14.118 where: short stacking energy: -14.118 Base-Backbone interact. energy: -0.002 local terms energy: -27.298362 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -36.718365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.718365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.718365 (E_RNA) where: Base-Base interactions energy: -17.565 where: short stacking energy: -15.457 Base-Backbone interact. energy: -0.020 local terms energy: -19.133693 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -2.818 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -2.826 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: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -38.565568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.565568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.565568 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: -0.000 local terms energy: -21.896627 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -0.933 tors. eta vs tors. theta energy: -4.130 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: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -32.526674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.526674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.526674 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -1.190 local terms energy: -23.068151 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -31.603814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.603814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.603814 (E_RNA) where: Base-Base interactions energy: -10.580 where: short stacking energy: -10.580 Base-Backbone interact. energy: -0.002 local terms energy: -21.021863 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -4.644 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: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -32.533781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.533781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.533781 (E_RNA) where: Base-Base interactions energy: -11.813 where: short stacking energy: -11.813 Base-Backbone interact. energy: -0.007 local terms energy: -20.713813 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -27.487271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.487271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.487271 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -9.274 Base-Backbone interact. energy: -0.072 local terms energy: -18.092237 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -1.899 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: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -37.248740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.248740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.248740 (E_RNA) where: Base-Base interactions energy: -13.756 where: short stacking energy: -13.756 Base-Backbone interact. energy: -0.097 local terms energy: -23.395856 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -28.462854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.462854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.462854 (E_RNA) where: Base-Base interactions energy: -13.119 where: short stacking energy: -13.119 Base-Backbone interact. energy: -0.001 local terms energy: -15.342871 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -0.470 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -30.973527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973527 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.011 local terms energy: -16.800474 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -2.570 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: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -40.265145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.265145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.265145 (E_RNA) where: Base-Base interactions energy: -17.671 where: short stacking energy: -17.671 Base-Backbone interact. energy: -0.071 local terms energy: -22.522202 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -3.385 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -40.863924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.863924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.863924 (E_RNA) where: Base-Base interactions energy: -13.317 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.021 local terms energy: -27.526184 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -41.642427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.642427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.642427 (E_RNA) where: Base-Base interactions energy: -15.802 where: short stacking energy: -15.802 Base-Backbone interact. energy: -0.000 local terms energy: -25.840450 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -35.067442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.067442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.067442 (E_RNA) where: Base-Base interactions energy: -11.292 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.001 local terms energy: -23.773944 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.077 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: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -34.450558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.450558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.450558 (E_RNA) where: Base-Base interactions energy: -11.853 where: short stacking energy: -11.853 Base-Backbone interact. energy: -0.000 local terms energy: -22.596964 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -35.313559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.313559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.313559 (E_RNA) where: Base-Base interactions energy: -14.858 where: short stacking energy: -14.858 Base-Backbone interact. energy: -0.093 local terms energy: -20.363008 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -3.508 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: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -31.733988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.733988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.733988 (E_RNA) where: Base-Base interactions energy: -12.084 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.000 local terms energy: -19.650166 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -2.132 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -34.356016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.356016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.356016 (E_RNA) where: Base-Base interactions energy: -13.255 where: short stacking energy: -13.255 Base-Backbone interact. energy: -0.014 local terms energy: -21.086948 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -32.192276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.192276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.192276 (E_RNA) where: Base-Base interactions energy: -7.524 where: short stacking energy: -7.524 Base-Backbone interact. energy: -0.000 local terms energy: -24.668310 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -31.231349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.231349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.231349 (E_RNA) where: Base-Base interactions energy: -11.679 where: short stacking energy: -11.679 Base-Backbone interact. energy: -0.000 local terms energy: -19.552686 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -38.977618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.977618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.977618 (E_RNA) where: Base-Base interactions energy: -13.459 where: short stacking energy: -13.459 Base-Backbone interact. energy: -0.000 local terms energy: -25.518980 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.112 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: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -38.519884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.519884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.519884 (E_RNA) where: Base-Base interactions energy: -13.186 where: short stacking energy: -13.186 Base-Backbone interact. energy: -0.008 local terms energy: -25.325508 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.783 flat angles P-C4'-P energy: -3.943 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: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -41.946441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.946441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.946441 (E_RNA) where: Base-Base interactions energy: -15.736 where: short stacking energy: -15.736 Base-Backbone interact. energy: -0.008 local terms energy: -26.202570 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.287 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: 145 Temperature: 1.050000 Total energy: -34.493419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.493419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.493419 (E_RNA) where: Base-Base interactions energy: -11.658 where: short stacking energy: -11.658 Base-Backbone interact. energy: -0.000 local terms energy: -22.835272 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -30.675179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.675179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.675179 (E_RNA) where: Base-Base interactions energy: -9.756 where: short stacking energy: -9.756 Base-Backbone interact. energy: -0.211 local terms energy: -20.708218 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: 0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -31.158110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.158110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.158110 (E_RNA) where: Base-Base interactions energy: -10.590 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.642 local terms energy: -19.926581 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -30.139098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.139098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.139098 (E_RNA) where: Base-Base interactions energy: -9.029 where: short stacking energy: -9.029 Base-Backbone interact. energy: -0.066 local terms energy: -21.043330 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -35.714244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.714244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.714244 (E_RNA) where: Base-Base interactions energy: -14.709 where: short stacking energy: -14.709 Base-Backbone interact. energy: -0.007 local terms energy: -20.997673 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -31.728487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.728487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.728487 (E_RNA) where: Base-Base interactions energy: -8.565 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.000 local terms energy: -23.162962 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -30.086400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.086400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.086400 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.008 local terms energy: -16.904349 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -2.283 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -41.273322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.273322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.273322 (E_RNA) where: Base-Base interactions energy: -14.641 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.000 local terms energy: -26.631875 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -35.653434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.653434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.653434 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.105 local terms energy: -22.340195 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -41.228369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.228369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.228369 (E_RNA) where: Base-Base interactions energy: -15.553 where: short stacking energy: -15.553 Base-Backbone interact. energy: -0.000 local terms energy: -25.675010 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -36.304794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.304794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.304794 (E_RNA) where: Base-Base interactions energy: -12.726 where: short stacking energy: -12.726 Base-Backbone interact. energy: -0.000 local terms energy: -23.578915 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -2.853 flat angles P-C4'-P energy: -4.424 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: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -34.246092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.246092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.246092 (E_RNA) where: Base-Base interactions energy: -10.438 where: short stacking energy: -10.438 Base-Backbone interact. energy: -0.138 local terms energy: -23.670508 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -33.025186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.025186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.025186 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.396 local terms energy: -21.939675 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.983 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: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -34.024001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.024001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.024001 (E_RNA) where: Base-Base interactions energy: -10.081 where: short stacking energy: -10.081 Base-Backbone interact. energy: -0.088 local terms energy: -23.854256 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -29.744169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.744169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.744169 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.095 local terms energy: -18.125844 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -29.942147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.942147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.942147 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.001 local terms energy: -18.709987 where: bonds (distance) C4'-P energy: -2.885 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -27.587287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.587287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.587287 (E_RNA) where: Base-Base interactions energy: -9.538 where: short stacking energy: -9.720 Base-Backbone interact. energy: -0.215 local terms energy: -17.834458 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -41.759910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.759910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.759910 (E_RNA) where: Base-Base interactions energy: -15.677 where: short stacking energy: -15.677 Base-Backbone interact. energy: -0.031 local terms energy: -26.051809 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -4.341 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: 2, replica: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -36.587447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.587447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.587447 (E_RNA) where: Base-Base interactions energy: -12.516 where: short stacking energy: -12.516 Base-Backbone interact. energy: -0.001 local terms energy: -24.070350 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -40.625773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.625773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.625773 (E_RNA) where: Base-Base interactions energy: -17.193 where: short stacking energy: -17.193 Base-Backbone interact. energy: -0.002 local terms energy: -23.430771 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -36.005996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.005996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.005996 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.090 local terms energy: -23.591293 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -4.176 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: 5, replica: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -41.275292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.275292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.275292 (E_RNA) where: Base-Base interactions energy: -15.918 where: short stacking energy: -15.918 Base-Backbone interact. energy: -0.001 local terms energy: -25.355597 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -36.318100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.318100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.318100 (E_RNA) where: Base-Base interactions energy: -13.040 where: short stacking energy: -13.040 Base-Backbone interact. energy: -0.000 local terms energy: -23.278581 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.815 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: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -34.149532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.149532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.149532 (E_RNA) where: Base-Base interactions energy: -11.693 where: short stacking energy: -11.693 Base-Backbone interact. energy: -0.000 local terms energy: -22.456278 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -0.855 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -30.497480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.497480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.497480 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -8.768 Base-Backbone interact. energy: -0.000 local terms energy: -21.729833 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -4.593 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: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -30.694444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.694444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.694444 (E_RNA) where: Base-Base interactions energy: -11.113 where: short stacking energy: -11.113 Base-Backbone interact. energy: -0.000 local terms energy: -19.580942 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -2.253 flat angles P-C4'-P energy: -4.723 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: 147 Temperature: 1.350000 Total energy: -25.311372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.311372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.311372 (E_RNA) where: Base-Base interactions energy: -7.384 where: short stacking energy: -7.384 Base-Backbone interact. energy: -0.010 local terms energy: -17.917133 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -2.384 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: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -38.413995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.413995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.413995 (E_RNA) where: Base-Base interactions energy: -15.710 where: short stacking energy: -15.710 Base-Backbone interact. energy: -0.001 local terms energy: -22.702268 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -2.408 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -40.347394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.347394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.347394 (E_RNA) where: Base-Base interactions energy: -15.100 where: short stacking energy: -15.100 Base-Backbone interact. energy: -0.000 local terms energy: -25.246920 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -4.897 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: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -38.874450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.874450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.874450 (E_RNA) where: Base-Base interactions energy: -12.427 where: short stacking energy: -12.427 Base-Backbone interact. energy: -0.026 local terms energy: -26.421950 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -35.595484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.595484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.595484 (E_RNA) where: Base-Base interactions energy: -10.696 where: short stacking energy: -10.696 Base-Backbone interact. energy: -0.015 local terms energy: -24.885041 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -36.391524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.391524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.391524 (E_RNA) where: Base-Base interactions energy: -12.670 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.000 local terms energy: -23.721150 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -33.563846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.563846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.563846 (E_RNA) where: Base-Base interactions energy: -9.355 where: short stacking energy: -9.355 Base-Backbone interact. energy: -0.189 local terms energy: -24.019457 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -32.797223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.797223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.797223 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.000 local terms energy: -21.073439 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -4.476 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: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -28.910565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.910565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.910565 (E_RNA) where: Base-Base interactions energy: -9.584 where: short stacking energy: -9.584 Base-Backbone interact. energy: -0.010 local terms energy: -19.316022 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -4.183 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: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -27.733858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.733858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.733858 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -9.107 Base-Backbone interact. energy: -0.707 local terms energy: -17.919776 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: 2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -33.940499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.940499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.940499 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -14.416 Base-Backbone interact. energy: -0.143 local terms energy: -19.382174 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.638 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: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -44.751779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.751779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.751779 (E_RNA) where: Base-Base interactions energy: -16.495 where: short stacking energy: -16.495 Base-Backbone interact. energy: -0.000 local terms energy: -28.256369 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -38.708359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.708359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.708359 (E_RNA) where: Base-Base interactions energy: -17.174 where: short stacking energy: -17.174 Base-Backbone interact. energy: -0.000 local terms energy: -21.534403 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -35.361485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.361485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.361485 (E_RNA) where: Base-Base interactions energy: -12.593 where: short stacking energy: -12.593 Base-Backbone interact. energy: -0.014 local terms energy: -22.754878 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -3.644 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: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -38.839734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.839734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.839734 (E_RNA) where: Base-Base interactions energy: -14.256 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.001 local terms energy: -24.582704 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -37.023978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023978 (E_RNA) where: Base-Base interactions energy: -12.329 where: short stacking energy: -12.329 Base-Backbone interact. energy: -0.000 local terms energy: -24.694715 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -37.190229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.190229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.190229 (E_RNA) where: Base-Base interactions energy: -12.774 where: short stacking energy: -12.774 Base-Backbone interact. energy: -0.000 local terms energy: -24.416258 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -1.805 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: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -35.109723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.109723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.109723 (E_RNA) where: Base-Base interactions energy: -12.088 where: short stacking energy: -12.088 Base-Backbone interact. energy: -0.000 local terms energy: -23.022126 where: bonds (distance) C4'-P energy: -3.390 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -5.141 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: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -34.286290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.286290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.286290 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.000 local terms energy: -23.085230 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -29.464193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.464193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.464193 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.000 local terms energy: -21.067082 where: bonds (distance) C4'-P energy: -3.324 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -31.290903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.290903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.290903 (E_RNA) where: Base-Base interactions energy: -12.224 where: short stacking energy: -12.224 Base-Backbone interact. energy: -0.114 local terms energy: -18.953455 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -40.295811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.295811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.295811 (E_RNA) where: Base-Base interactions energy: -16.295 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.001 local terms energy: -23.999897 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -38.933048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.933048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.933048 (E_RNA) where: Base-Base interactions energy: -13.630 where: short stacking energy: -13.630 Base-Backbone interact. energy: -0.028 local terms energy: -25.274171 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -35.137579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.137579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.137579 (E_RNA) where: Base-Base interactions energy: -11.649 where: short stacking energy: -11.649 Base-Backbone interact. energy: -0.000 local terms energy: -23.488730 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.694 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: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -35.476562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.476562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.476562 (E_RNA) where: Base-Base interactions energy: -11.977 where: short stacking energy: -11.977 Base-Backbone interact. energy: -0.002 local terms energy: -23.498388 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -32.591942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.591942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.591942 (E_RNA) where: Base-Base interactions energy: -12.174 where: short stacking energy: -12.174 Base-Backbone interact. energy: -0.000 local terms energy: -20.418411 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.656 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: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -37.041386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.041386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.041386 (E_RNA) where: Base-Base interactions energy: -10.036 where: short stacking energy: -10.036 Base-Backbone interact. energy: -0.002 local terms energy: -27.004031 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -5.459 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: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -35.276056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.276056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.276056 (E_RNA) where: Base-Base interactions energy: -15.819 where: short stacking energy: -14.960 Base-Backbone interact. energy: 0.122 local terms energy: -19.579260 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: 1.172 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -34.002900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.002900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.002900 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.002 local terms energy: -21.668934 where: bonds (distance) C4'-P energy: -2.864 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.298 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: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -31.500861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.500861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.500861 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.000 local terms energy: -21.210831 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -27.757428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.757428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.757428 (E_RNA) where: Base-Base interactions energy: -7.189 where: short stacking energy: -7.189 Base-Backbone interact. energy: -0.051 local terms energy: -20.517784 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -0.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -36.686362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.686362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.686362 (E_RNA) where: Base-Base interactions energy: -14.308 where: short stacking energy: -14.308 Base-Backbone interact. energy: -0.003 local terms energy: -22.375257 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -41.693318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.693318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.693318 (E_RNA) where: Base-Base interactions energy: -17.389 where: short stacking energy: -17.389 Base-Backbone interact. energy: -0.000 local terms energy: -24.304325 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -37.291331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.291331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.291331 (E_RNA) where: Base-Base interactions energy: -12.624 where: short stacking energy: -12.624 Base-Backbone interact. energy: -0.044 local terms energy: -24.623656 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.902 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -41.392983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.392983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.392983 (E_RNA) where: Base-Base interactions energy: -15.092 where: short stacking energy: -15.092 Base-Backbone interact. energy: -0.002 local terms energy: -26.298549 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -38.817598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.817598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.817598 (E_RNA) where: Base-Base interactions energy: -14.230 where: short stacking energy: -14.230 Base-Backbone interact. energy: -0.002 local terms energy: -24.585624 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -30.159681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.159681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.159681 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.015 local terms energy: -18.943827 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -3.554 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -34.226310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.226310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.226310 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: 0.780 local terms energy: -24.586802 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -30.919256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.919256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.919256 (E_RNA) where: Base-Base interactions energy: -9.131 where: short stacking energy: -9.131 Base-Backbone interact. energy: -0.199 local terms energy: -21.588649 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.617 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -32.119709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.119709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.119709 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.047 local terms energy: -23.792011 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -2.991 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: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -30.880844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.880844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.880844 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -9.848 Base-Backbone interact. energy: -0.006 local terms energy: -18.052156 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -2.612 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -45.354254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.354254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.354254 (E_RNA) where: Base-Base interactions energy: -17.359 where: short stacking energy: -17.359 Base-Backbone interact. energy: -0.000 local terms energy: -27.995101 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -35.857992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.857992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.857992 (E_RNA) where: Base-Base interactions energy: -12.216 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.005 local terms energy: -23.636529 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -3.978 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: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -40.563793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.563793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.563793 (E_RNA) where: Base-Base interactions energy: -14.199 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.002 local terms energy: -26.363390 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -35.699623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.699623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.699623 (E_RNA) where: Base-Base interactions energy: -14.308 where: short stacking energy: -14.308 Base-Backbone interact. energy: -0.081 local terms energy: -21.310883 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.563 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: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -39.483393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.483393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.483393 (E_RNA) where: Base-Base interactions energy: -15.549 where: short stacking energy: -15.549 Base-Backbone interact. energy: -0.000 local terms energy: -23.934165 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -33.745629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.745629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.745629 (E_RNA) where: Base-Base interactions energy: -12.221 where: short stacking energy: -12.221 Base-Backbone interact. energy: -0.021 local terms energy: -21.503823 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -4.493 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: 7, replica: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -33.730931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.730931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.730931 (E_RNA) where: Base-Base interactions energy: -11.921 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.000 local terms energy: -21.810336 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -2.342 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -28.254515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.254515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.254515 (E_RNA) where: Base-Base interactions energy: -9.061 where: short stacking energy: -9.061 Base-Backbone interact. energy: -0.522 local terms energy: -18.671583 where: bonds (distance) C4'-P energy: -3.068 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -29.363915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.363915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.363915 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.002 local terms energy: -18.114805 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -2.227 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: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -26.617883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.617883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.617883 (E_RNA) where: Base-Base interactions energy: -9.101 where: short stacking energy: -9.101 Base-Backbone interact. energy: -0.145 local terms energy: -17.371875 where: bonds (distance) C4'-P energy: -3.228 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -42.561126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.561126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.561126 (E_RNA) where: Base-Base interactions energy: -12.498 where: short stacking energy: -12.498 Base-Backbone interact. energy: -0.000 local terms energy: -30.062689 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -5.868 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: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -40.863816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.863816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.863816 (E_RNA) where: Base-Base interactions energy: -17.482 where: short stacking energy: -17.482 Base-Backbone interact. energy: -0.000 local terms energy: -23.381134 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -43.473090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.473090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.473090 (E_RNA) where: Base-Base interactions energy: -16.655 where: short stacking energy: -16.655 Base-Backbone interact. energy: -0.001 local terms energy: -26.817276 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -5.399 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: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -39.048887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.048887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.048887 (E_RNA) where: Base-Base interactions energy: -15.986 where: short stacking energy: -15.986 Base-Backbone interact. energy: -0.002 local terms energy: -23.061027 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -28.986898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.986898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.986898 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.073 local terms energy: -22.585946 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.381 flat angles P-C4'-P energy: -3.783 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: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -35.029534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.029534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.029534 (E_RNA) where: Base-Base interactions energy: -8.617 where: short stacking energy: -8.617 Base-Backbone interact. energy: -0.015 local terms energy: -26.397450 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -39.191569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.191569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.191569 (E_RNA) where: Base-Base interactions energy: -15.907 where: short stacking energy: -15.907 Base-Backbone interact. energy: -0.000 local terms energy: -23.284864 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -4.131 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: 153 Temperature: 1.250000 Total energy: -31.793147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.793147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.793147 (E_RNA) where: Base-Base interactions energy: -8.295 where: short stacking energy: -8.295 Base-Backbone interact. energy: -0.008 local terms energy: -23.490836 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -0.655 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: 9, replica: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -29.087864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.087864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.087864 (E_RNA) where: Base-Base interactions energy: -9.712 where: short stacking energy: -9.712 Base-Backbone interact. energy: -0.012 local terms energy: -19.364081 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -1.367 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: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -31.824756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.824756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.824756 (E_RNA) where: Base-Base interactions energy: -10.230 where: short stacking energy: -10.230 Base-Backbone interact. energy: -0.008 local terms energy: -21.586600 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -44.212267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.212267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.212267 (E_RNA) where: Base-Base interactions energy: -17.898 where: short stacking energy: -17.898 Base-Backbone interact. energy: -0.000 local terms energy: -26.314163 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -4.681 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: 2, replica: 2 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -39.422123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.422123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.422123 (E_RNA) where: Base-Base interactions energy: -14.138 where: short stacking energy: -14.138 Base-Backbone interact. energy: -0.019 local terms energy: -25.265171 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -36.265790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.265790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.265790 (E_RNA) where: Base-Base interactions energy: -13.133 where: short stacking energy: -13.133 Base-Backbone interact. energy: -0.027 local terms energy: -23.106396 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -43.516637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.516637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.516637 (E_RNA) where: Base-Base interactions energy: -17.008 where: short stacking energy: -17.008 Base-Backbone interact. energy: -0.000 local terms energy: -26.508558 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -6.901 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: 154 Temperature: 1.100000 Total energy: -30.763510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.763510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.763510 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -8.708 Base-Backbone interact. energy: -0.086 local terms energy: -21.969883 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -31.181513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.181513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.181513 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.004 local terms energy: -18.956584 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -2.313 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: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -27.639276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.639276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.639276 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.030 local terms energy: -20.026538 where: bonds (distance) C4'-P energy: -2.127 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.216 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: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -30.172005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.172005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.172005 (E_RNA) where: Base-Base interactions energy: -8.225 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.012 local terms energy: -21.935208 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.996 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: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -33.971757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.971757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.971757 (E_RNA) where: Base-Base interactions energy: -11.049 where: short stacking energy: -11.049 Base-Backbone interact. energy: -0.532 local terms energy: -22.390467 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.290 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: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -32.137915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.137915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.137915 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.088 local terms energy: -23.849248 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -3.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -43.753288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.753288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.753288 (E_RNA) where: Base-Base interactions energy: -18.543 where: short stacking energy: -18.543 Base-Backbone interact. energy: -0.002 local terms energy: -25.208189 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -4.797 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: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -34.805119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.805119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.805119 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.003 local terms energy: -23.657566 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -3.749 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: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -39.734807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.734807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.734807 (E_RNA) where: Base-Base interactions energy: -15.818 where: short stacking energy: -15.818 Base-Backbone interact. energy: -0.001 local terms energy: -23.916262 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -34.147485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.147485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.147485 (E_RNA) where: Base-Base interactions energy: -10.783 where: short stacking energy: -10.783 Base-Backbone interact. energy: -0.000 local terms energy: -23.364109 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -4.452 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: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -36.018512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.018512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.018512 (E_RNA) where: Base-Base interactions energy: -14.485 where: short stacking energy: -14.485 Base-Backbone interact. energy: -0.014 local terms energy: -21.519212 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -1.136 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -38.875473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.875473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.875473 (E_RNA) where: Base-Base interactions energy: -13.734 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.024 local terms energy: -25.117699 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.656 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: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -31.231314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.231314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.231314 (E_RNA) where: Base-Base interactions energy: -8.013 where: short stacking energy: -8.013 Base-Backbone interact. energy: -0.049 local terms energy: -23.169052 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -27.063789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.063789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.063789 (E_RNA) where: Base-Base interactions energy: -7.765 where: short stacking energy: -7.765 Base-Backbone interact. energy: -0.001 local terms energy: -19.297769 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -30.127357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.127357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.127357 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.026 local terms energy: -20.592811 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -3.731 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: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -26.356156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.356156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.356156 (E_RNA) where: Base-Base interactions energy: -8.379 where: short stacking energy: -8.379 Base-Backbone interact. energy: -0.042 local terms energy: -17.935038 where: bonds (distance) C4'-P energy: -2.864 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -1.834 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: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -40.957110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.957110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.957110 (E_RNA) where: Base-Base interactions energy: -14.222 where: short stacking energy: -14.222 Base-Backbone interact. energy: -0.000 local terms energy: -26.734844 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.743 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: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -39.959740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.959740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.959740 (E_RNA) where: Base-Base interactions energy: -13.306 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.000 local terms energy: -26.653370 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -37.756343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.756343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.756343 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.057 local terms energy: -24.365874 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.260 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: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -34.862835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.862835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.862835 (E_RNA) where: Base-Base interactions energy: -15.568 where: short stacking energy: -15.568 Base-Backbone interact. energy: -0.006 local terms energy: -19.288089 where: bonds (distance) C4'-P energy: -2.243 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.799 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: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -36.499693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.499693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.499693 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.001 local terms energy: -25.214144 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -31.960345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.960345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.960345 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.000 local terms energy: -23.563178 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -2.653 flat angles P-C4'-P energy: -4.596 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: 7, replica: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -30.928757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.928757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.928757 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.077 local terms energy: -21.730024 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -30.117815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.117815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.117815 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.001 local terms energy: -21.395032 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: 1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -30.649118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.649118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.649118 (E_RNA) where: Base-Base interactions energy: -7.555 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.011 local terms energy: -23.083391 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -31.046358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.046358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.046358 (E_RNA) where: Base-Base interactions energy: -8.638 where: short stacking energy: -8.638 Base-Backbone interact. energy: -0.005 local terms energy: -22.403324 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -40.872914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.872914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.872914 (E_RNA) where: Base-Base interactions energy: -11.827 where: short stacking energy: -11.827 Base-Backbone interact. energy: -0.000 local terms energy: -29.046248 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -39.778959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.778959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.778959 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.000 local terms energy: -27.501790 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -38.395449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.395449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.395449 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -17.729 Base-Backbone interact. energy: -0.012 local terms energy: -20.654110 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -36.443414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.443414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.443414 (E_RNA) where: Base-Base interactions energy: -14.205 where: short stacking energy: -14.205 Base-Backbone interact. energy: -0.073 local terms energy: -22.166235 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.324 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -36.531380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.531380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.531380 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.004 local terms energy: -24.612090 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -37.574564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.574564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.574564 (E_RNA) where: Base-Base interactions energy: -13.858 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.000 local terms energy: -23.716092 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -34.563825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.563825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.563825 (E_RNA) where: Base-Base interactions energy: -13.816 where: short stacking energy: -13.816 Base-Backbone interact. energy: -0.002 local terms energy: -20.745979 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -32.344376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.344376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.344376 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.053 local terms energy: -23.106780 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -34.084945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.084945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.084945 (E_RNA) where: Base-Base interactions energy: -13.222 where: short stacking energy: -13.222 Base-Backbone interact. energy: -0.000 local terms energy: -20.862944 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -29.548165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.548165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.548165 (E_RNA) where: Base-Base interactions energy: -9.023 where: short stacking energy: -9.023 Base-Backbone interact. energy: 0.178 local terms energy: -20.703191 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -42.441521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.441521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.441521 (E_RNA) where: Base-Base interactions energy: -17.468 where: short stacking energy: -17.468 Base-Backbone interact. energy: -0.000 local terms energy: -24.973843 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -38.160759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.160759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.160759 (E_RNA) where: Base-Base interactions energy: -13.889 where: short stacking energy: -13.889 Base-Backbone interact. energy: -0.000 local terms energy: -24.272088 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -5.195 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: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -41.271518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.271518 (E_RNA) where: Base-Base interactions energy: -13.824 where: short stacking energy: -13.824 Base-Backbone interact. energy: -0.009 local terms energy: -27.438279 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -38.546874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.546874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.546874 (E_RNA) where: Base-Base interactions energy: -13.359 where: short stacking energy: -13.359 Base-Backbone interact. energy: -0.071 local terms energy: -25.116666 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -34.011791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.011791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.011791 (E_RNA) where: Base-Base interactions energy: -13.538 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.001 local terms energy: -20.473154 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -3.250 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: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -38.047460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.047460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.047460 (E_RNA) where: Base-Base interactions energy: -13.453 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.002 local terms energy: -24.593098 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -4.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -32.275304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275304 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.100 local terms energy: -18.383699 where: bonds (distance) C4'-P energy: -2.955 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -34.781080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.781080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.781080 (E_RNA) where: Base-Base interactions energy: -10.738 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.003 local terms energy: -24.039828 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -30.868340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.868340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.868340 (E_RNA) where: Base-Base interactions energy: -9.912 where: short stacking energy: -8.520 Base-Backbone interact. energy: -0.002 local terms energy: -20.954075 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: 0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -27.140899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.140899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.140899 (E_RNA) where: Base-Base interactions energy: -5.201 where: short stacking energy: -5.201 Base-Backbone interact. energy: -0.084 local terms energy: -21.856504 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -40.623662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.623662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.623662 (E_RNA) where: Base-Base interactions energy: -17.884 where: short stacking energy: -17.884 Base-Backbone interact. energy: -0.165 local terms energy: -22.574627 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -36.114403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.114403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.114403 (E_RNA) where: Base-Base interactions energy: -11.549 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.000 local terms energy: -24.565367 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -34.893330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.893330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.893330 (E_RNA) where: Base-Base interactions energy: -10.324 where: short stacking energy: -10.324 Base-Backbone interact. energy: 0.002 local terms energy: -24.571515 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -3.817 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: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -37.045362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.045362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.045362 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -12.500 Base-Backbone interact. energy: -0.000 local terms energy: -24.544773 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.849 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: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -34.908705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.908705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.908705 (E_RNA) where: Base-Base interactions energy: -11.272 where: short stacking energy: -11.272 Base-Backbone interact. energy: -0.001 local terms energy: -23.635261 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -4.020 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: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -32.939430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939430 (E_RNA) where: Base-Base interactions energy: -10.311 where: short stacking energy: -10.311 Base-Backbone interact. energy: -0.005 local terms energy: -22.623491 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -2.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -33.502345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.502345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.502345 (E_RNA) where: Base-Base interactions energy: -7.010 where: short stacking energy: -7.010 Base-Backbone interact. energy: -0.049 local terms energy: -26.443315 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -27.400669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.400669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.400669 (E_RNA) where: Base-Base interactions energy: -10.184 where: short stacking energy: -10.184 Base-Backbone interact. energy: -0.004 local terms energy: -17.213321 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -2.491 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: 9, replica: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -29.773817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.773817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.773817 (E_RNA) where: Base-Base interactions energy: -9.261 where: short stacking energy: -10.261 Base-Backbone interact. energy: -0.000 local terms energy: -20.513291 where: bonds (distance) C4'-P energy: -2.430 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -30.785712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.785712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.785712 (E_RNA) where: Base-Base interactions energy: -8.070 where: short stacking energy: -8.070 Base-Backbone interact. energy: 0.997 local terms energy: -23.712809 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -37.905872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.905872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.905872 (E_RNA) where: Base-Base interactions energy: -12.209 where: short stacking energy: -12.209 Base-Backbone interact. energy: -0.094 local terms energy: -25.603383 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -3.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -38.057208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.057208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.057208 (E_RNA) where: Base-Base interactions energy: -14.942 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.000 local terms energy: -23.114859 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.033 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: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -34.649423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.649423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.649423 (E_RNA) where: Base-Base interactions energy: -12.758 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.001 local terms energy: -21.889852 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -37.019993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.019993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.019993 (E_RNA) where: Base-Base interactions energy: -12.467 where: short stacking energy: -12.467 Base-Backbone interact. energy: -0.000 local terms energy: -24.552621 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -36.402245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.402245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.402245 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.000 local terms energy: -23.830006 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -34.487968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.487968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.487968 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.000 local terms energy: -26.719528 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -37.308198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.308198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.308198 (E_RNA) where: Base-Base interactions energy: -13.964 where: short stacking energy: -13.964 Base-Backbone interact. energy: -0.000 local terms energy: -23.344345 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -3.518 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: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -29.820453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.820453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.820453 (E_RNA) where: Base-Base interactions energy: -9.476 where: short stacking energy: -9.476 Base-Backbone interact. energy: -0.093 local terms energy: -20.251917 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -33.213587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.213587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.213587 (E_RNA) where: Base-Base interactions energy: -9.132 where: short stacking energy: -9.132 Base-Backbone interact. energy: -0.049 local terms energy: -24.032753 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.918 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -3.979 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: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -32.782208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.782208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.782208 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.000 local terms energy: -20.220804 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -3.558 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: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -45.945988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.945988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.945988 (E_RNA) where: Base-Base interactions energy: -18.271 where: short stacking energy: -18.271 Base-Backbone interact. energy: -0.001 local terms energy: -27.674594 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -37.776833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.776833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.776833 (E_RNA) where: Base-Base interactions energy: -12.901 where: short stacking energy: -12.901 Base-Backbone interact. energy: -0.000 local terms energy: -24.875843 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -39.514324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.514324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.514324 (E_RNA) where: Base-Base interactions energy: -12.938 where: short stacking energy: -12.938 Base-Backbone interact. energy: -0.055 local terms energy: -26.521036 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -32.489173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.489173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.489173 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -7.281 Base-Backbone interact. energy: -0.072 local terms energy: -25.135820 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -5.022 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: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -33.960718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.960718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.960718 (E_RNA) where: Base-Base interactions energy: -8.923 where: short stacking energy: -8.923 Base-Backbone interact. energy: -0.000 local terms energy: -25.037738 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.808 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: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -35.267484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267484 (E_RNA) where: Base-Base interactions energy: -12.579 where: short stacking energy: -12.579 Base-Backbone interact. energy: -0.009 local terms energy: -22.678746 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -4.199 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: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -31.751043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.751043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.751043 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.000 local terms energy: -19.892682 where: bonds (distance) C4'-P energy: -2.463 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -1.681 flat angles P-C4'-P energy: -4.577 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: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -30.500879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.500879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.500879 (E_RNA) where: Base-Base interactions energy: -10.165 where: short stacking energy: -10.165 Base-Backbone interact. energy: -0.090 local terms energy: -20.246365 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -2.857 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -31.676315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676315 (E_RNA) where: Base-Base interactions energy: -8.686 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.000 local terms energy: -22.990451 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -27.343616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.343616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.343616 (E_RNA) where: Base-Base interactions energy: -6.814 where: short stacking energy: -6.814 Base-Backbone interact. energy: -0.014 local terms energy: -20.515791 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -0.717 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: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -41.422428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.422428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.422428 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.000 local terms energy: -27.196935 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -43.216743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.216743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.216743 (E_RNA) where: Base-Base interactions energy: -17.196 where: short stacking energy: -17.196 Base-Backbone interact. energy: -0.000 local terms energy: -26.020170 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -3.193 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: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -38.937409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.937409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.937409 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.000 local terms energy: -24.735325 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -4.176 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: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -38.986909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.986909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.986909 (E_RNA) where: Base-Base interactions energy: -11.760 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.000 local terms energy: -27.226795 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -4.524 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: 5, replica: 9 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -34.668200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.668200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.668200 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.000 local terms energy: -22.944322 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -1.835 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: 6, replica: 1 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -30.238968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.238968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.238968 (E_RNA) where: Base-Base interactions energy: -9.566 where: short stacking energy: -9.566 Base-Backbone interact. energy: -0.089 local terms energy: -20.583844 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -30.474432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.474432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.474432 (E_RNA) where: Base-Base interactions energy: -10.705 where: short stacking energy: -10.705 Base-Backbone interact. energy: 0.072 local terms energy: -19.841675 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -2.765 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: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -27.171935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.171935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.171935 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -9.273 Base-Backbone interact. energy: -0.131 local terms energy: -16.694838 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -1.967 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -32.881579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.881579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.881579 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -12.371 Base-Backbone interact. energy: -0.082 local terms energy: -20.428372 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -30.263107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.263107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.263107 (E_RNA) where: Base-Base interactions energy: -9.417 where: short stacking energy: -9.417 Base-Backbone interact. energy: -0.001 local terms energy: -20.844606 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.438 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: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -40.242647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.242647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.242647 (E_RNA) where: Base-Base interactions energy: -14.958 where: short stacking energy: -14.958 Base-Backbone interact. energy: -0.000 local terms energy: -25.285108 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -5.850 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: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -39.272940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.272940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.272940 (E_RNA) where: Base-Base interactions energy: -13.021 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.037 local terms energy: -26.214269 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.484 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -40.063386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.063386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.063386 (E_RNA) where: Base-Base interactions energy: -14.056 where: short stacking energy: -14.056 Base-Backbone interact. energy: -0.001 local terms energy: -26.006440 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -33.511209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.511209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.511209 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -11.624 Base-Backbone interact. energy: -0.056 local terms energy: -21.830877 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -3.915 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: 5, replica: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -35.923694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.923694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.923694 (E_RNA) where: Base-Base interactions energy: -16.548 where: short stacking energy: -16.548 Base-Backbone interact. energy: -0.100 local terms energy: -19.275404 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -31.368846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.368846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.368846 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.040 local terms energy: -22.948101 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -36.012126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.012126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.012126 (E_RNA) where: Base-Base interactions energy: -13.187 where: short stacking energy: -13.187 Base-Backbone interact. energy: -0.047 local terms energy: -22.778576 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -30.728176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.728176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.728176 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.000 local terms energy: -20.482284 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -4.978 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: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -29.834282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.834282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.834282 (E_RNA) where: Base-Base interactions energy: -10.563 where: short stacking energy: -10.563 Base-Backbone interact. energy: -0.047 local terms energy: -19.224460 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -2.626 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: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -26.764292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.764292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.764292 (E_RNA) where: Base-Base interactions energy: -11.417 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.083 local terms energy: -15.264031 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: 3.954 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -36.941166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.941166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.941166 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.014 local terms energy: -22.885023 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -39.795654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.795654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.795654 (E_RNA) where: Base-Base interactions energy: -14.200 where: short stacking energy: -14.200 Base-Backbone interact. energy: -0.000 local terms energy: -25.596044 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.013 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: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -40.146003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.146003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.146003 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.000 local terms energy: -27.617256 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -4.575 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: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -33.055860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.055860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.055860 (E_RNA) where: Base-Base interactions energy: -9.947 where: short stacking energy: -9.947 Base-Backbone interact. energy: -0.001 local terms energy: -23.107626 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -3.130 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -35.449421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.449421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.449421 (E_RNA) where: Base-Base interactions energy: -13.711 where: short stacking energy: -13.711 Base-Backbone interact. energy: -0.098 local terms energy: -21.640972 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -31.747379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.747379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.747379 (E_RNA) where: Base-Base interactions energy: -9.387 where: short stacking energy: -9.387 Base-Backbone interact. energy: -0.005 local terms energy: -22.355122 where: bonds (distance) C4'-P energy: -1.663 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -5.615 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: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -34.887784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.887784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.887784 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: -0.000 local terms energy: -22.320923 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -4.637 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: 8, replica: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -32.123252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.123252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.123252 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.799 Base-Backbone interact. energy: -0.020 local terms energy: -20.303429 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -30.851754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.851754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.851754 (E_RNA) where: Base-Base interactions energy: -8.189 where: short stacking energy: -8.189 Base-Backbone interact. energy: -0.097 local terms energy: -22.566109 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -2.387 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: 10, replica: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -31.086413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.086413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.086413 (E_RNA) where: Base-Base interactions energy: -9.686 where: short stacking energy: -9.686 Base-Backbone interact. energy: -0.010 local terms energy: -21.390627 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -2.009 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: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -39.102140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.102140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.102140 (E_RNA) where: Base-Base interactions energy: -15.664 where: short stacking energy: -15.664 Base-Backbone interact. energy: -0.031 local terms energy: -23.406419 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -35.281161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.281161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.281161 (E_RNA) where: Base-Base interactions energy: -16.010 where: short stacking energy: -16.010 Base-Backbone interact. energy: 2.959 local terms energy: -22.229887 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.637 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: 3, replica: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -42.310013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.310013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.310013 (E_RNA) where: Base-Base interactions energy: -15.885 where: short stacking energy: -15.885 Base-Backbone interact. energy: -0.000 local terms energy: -26.424749 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -34.385305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385305 (E_RNA) where: Base-Base interactions energy: -11.946 where: short stacking energy: -11.946 Base-Backbone interact. energy: -0.212 local terms energy: -22.227439 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -37.366501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.366501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.366501 (E_RNA) where: Base-Base interactions energy: -12.911 where: short stacking energy: -12.911 Base-Backbone interact. energy: -0.000 local terms energy: -24.455518 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -32.650289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.650289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.650289 (E_RNA) where: Base-Base interactions energy: -9.612 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.008 local terms energy: -23.030223 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -4.671 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: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -32.874427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874427 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.138 local terms energy: -21.048885 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -4.019 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: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -27.495850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.495850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.495850 (E_RNA) where: Base-Base interactions energy: -9.325 where: short stacking energy: -9.325 Base-Backbone interact. energy: -0.018 local terms energy: -18.152013 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -2.944 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: 1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -35.645744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.645744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.645744 (E_RNA) where: Base-Base interactions energy: -12.864 where: short stacking energy: -12.864 Base-Backbone interact. energy: -0.037 local terms energy: -22.745229 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -35.463954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.463954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.463954 (E_RNA) where: Base-Base interactions energy: -17.680 where: short stacking energy: -17.680 Base-Backbone interact. energy: -0.000 local terms energy: -17.783547 where: bonds (distance) C4'-P energy: -4.575 bonds (distance) P-C4' energy: -2.320 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -1.600 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -39.686172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.686172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.686172 (E_RNA) where: Base-Base interactions energy: -15.373 where: short stacking energy: -15.373 Base-Backbone interact. energy: -0.020 local terms energy: -24.293318 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.041 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: 2, replica: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -40.812243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.812243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.812243 (E_RNA) where: Base-Base interactions energy: -14.227 where: short stacking energy: -14.227 Base-Backbone interact. energy: -0.006 local terms energy: -26.578961 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -44.485600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.485600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.485600 (E_RNA) where: Base-Base interactions energy: -16.864 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.000 local terms energy: -27.621610 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -37.349290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.349290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.349290 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -13.837 Base-Backbone interact. energy: -0.064 local terms energy: -23.448442 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -39.340746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.340746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.340746 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -16.926 Base-Backbone interact. energy: -0.000 local terms energy: -22.414625 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.751 flat angles P-C4'-P energy: -3.604 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: 6, replica: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -29.537270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.537270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.537270 (E_RNA) where: Base-Base interactions energy: -11.395 where: short stacking energy: -11.395 Base-Backbone interact. energy: -0.011 local terms energy: -18.130629 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: 0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -35.912112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.912112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.912112 (E_RNA) where: Base-Base interactions energy: -12.264 where: short stacking energy: -12.264 Base-Backbone interact. energy: -0.000 local terms energy: -23.648171 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.023 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: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -34.382204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.382204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.382204 (E_RNA) where: Base-Base interactions energy: -9.712 where: short stacking energy: -9.712 Base-Backbone interact. energy: -0.100 local terms energy: -24.570147 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.981 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: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -28.289098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.289098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.289098 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.011 local terms energy: -20.022862 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -1.801 flat angles P-C4'-P energy: -3.476 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: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -25.986560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.986560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.986560 (E_RNA) where: Base-Base interactions energy: -8.833 where: short stacking energy: -8.833 Base-Backbone interact. energy: -0.000 local terms energy: -17.153223 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -0.681 flat angles P-C4'-P energy: -4.799 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: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -41.638995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.638995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.638995 (E_RNA) where: Base-Base interactions energy: -16.066 where: short stacking energy: -16.066 Base-Backbone interact. energy: -0.079 local terms energy: -25.493478 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -3.627 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: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -41.779604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.779604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.779604 (E_RNA) where: Base-Base interactions energy: -15.525 where: short stacking energy: -15.525 Base-Backbone interact. energy: -0.002 local terms energy: -26.253052 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -4.591 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: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -37.492988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492988 (E_RNA) where: Base-Base interactions energy: -12.625 where: short stacking energy: -12.625 Base-Backbone interact. energy: -0.089 local terms energy: -24.779022 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -39.153789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.153789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.153789 (E_RNA) where: Base-Base interactions energy: -14.062 where: short stacking energy: -14.062 Base-Backbone interact. energy: -0.049 local terms energy: -25.042561 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -34.279183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.279183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.279183 (E_RNA) where: Base-Base interactions energy: -10.545 where: short stacking energy: -10.545 Base-Backbone interact. energy: -0.000 local terms energy: -23.734451 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.581 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: 167 Temperature: 1.150000 Total energy: -35.670734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.670734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.670734 (E_RNA) where: Base-Base interactions energy: -10.372 where: short stacking energy: -10.372 Base-Backbone interact. energy: -0.659 local terms energy: -24.640048 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -28.502214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.502214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.502214 (E_RNA) where: Base-Base interactions energy: -9.149 where: short stacking energy: -9.149 Base-Backbone interact. energy: -0.063 local terms energy: -19.290353 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -3.861 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: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -32.807789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.807789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.807789 (E_RNA) where: Base-Base interactions energy: -11.226 where: short stacking energy: -11.226 Base-Backbone interact. energy: -0.016 local terms energy: -21.565839 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -26.717680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.717680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.717680 (E_RNA) where: Base-Base interactions energy: -5.018 where: short stacking energy: -5.018 Base-Backbone interact. energy: -0.035 local terms energy: -21.664660 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -30.032588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.032588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.032588 (E_RNA) where: Base-Base interactions energy: -8.652 where: short stacking energy: -8.652 Base-Backbone interact. energy: -0.027 local terms energy: -21.353412 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -44.771313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.771313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.771313 (E_RNA) where: Base-Base interactions energy: -22.617 where: short stacking energy: -17.282 Base-Backbone interact. energy: -0.014 local terms energy: -22.140430 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.338 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -40.084685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.084685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.084685 (E_RNA) where: Base-Base interactions energy: -14.110 where: short stacking energy: -14.110 Base-Backbone interact. energy: -0.007 local terms energy: -25.966958 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -39.654085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.654085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.654085 (E_RNA) where: Base-Base interactions energy: -13.584 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.002 local terms energy: -26.067149 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -3.113 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: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -36.861217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.861217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.861217 (E_RNA) where: Base-Base interactions energy: -9.348 where: short stacking energy: -9.348 Base-Backbone interact. energy: -0.000 local terms energy: -27.513598 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -36.965040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.965040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.965040 (E_RNA) where: Base-Base interactions energy: -14.179 where: short stacking energy: -14.179 Base-Backbone interact. energy: -0.000 local terms energy: -22.785588 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -3.174 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -34.849820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.849820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.849820 (E_RNA) where: Base-Base interactions energy: -13.055 where: short stacking energy: -13.055 Base-Backbone interact. energy: -0.002 local terms energy: -21.792504 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -31.343708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.343708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.343708 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -8.656 Base-Backbone interact. energy: -0.000 local terms energy: -22.770945 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.043 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: 168 Temperature: 1.250000 Total energy: -27.647328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.647328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.647328 (E_RNA) where: Base-Base interactions energy: -7.798 where: short stacking energy: -7.798 Base-Backbone interact. energy: -0.095 local terms energy: -19.753946 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -1.199 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -28.575784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.575784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.575784 (E_RNA) where: Base-Base interactions energy: -9.103 where: short stacking energy: -9.103 Base-Backbone interact. energy: -0.000 local terms energy: -19.472606 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -3.192 flat angles P-C4'-P energy: -4.404 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: 10, replica: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -31.964462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.964462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.964462 (E_RNA) where: Base-Base interactions energy: -9.884 where: short stacking energy: -9.884 Base-Backbone interact. energy: -0.083 local terms energy: -21.997985 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -41.892490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.892490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.892490 (E_RNA) where: Base-Base interactions energy: -19.122 where: short stacking energy: -18.173 Base-Backbone interact. energy: -0.011 local terms energy: -22.760261 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -35.423290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423290 (E_RNA) where: Base-Base interactions energy: -9.186 where: short stacking energy: -9.186 Base-Backbone interact. energy: -0.005 local terms energy: -26.232514 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.190 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: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -35.363661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.363661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.363661 (E_RNA) where: Base-Base interactions energy: -11.382 where: short stacking energy: -11.382 Base-Backbone interact. energy: -0.064 local terms energy: -23.917986 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.805 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: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -33.493741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.493741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.493741 (E_RNA) where: Base-Base interactions energy: -9.490 where: short stacking energy: -9.490 Base-Backbone interact. energy: -0.000 local terms energy: -24.003615 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -34.460651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.460651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.460651 (E_RNA) where: Base-Base interactions energy: -13.834 where: short stacking energy: -13.834 Base-Backbone interact. energy: -0.015 local terms energy: -20.611479 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -1.164 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -31.123978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123978 (E_RNA) where: Base-Base interactions energy: -11.893 where: short stacking energy: -11.893 Base-Backbone interact. energy: -0.003 local terms energy: -19.228559 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -1.425 flat angles P-C4'-P energy: -3.121 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: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -30.655802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.655802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.655802 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.008 local terms energy: -19.856523 where: bonds (distance) C4'-P energy: -1.304 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -30.446884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.446884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.446884 (E_RNA) where: Base-Base interactions energy: -8.994 where: short stacking energy: -8.994 Base-Backbone interact. energy: -0.014 local terms energy: -21.438805 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -36.244137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.244137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.244137 (E_RNA) where: Base-Base interactions energy: -14.031 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.000 local terms energy: -22.213158 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -1.170 tors. eta vs tors. theta energy: -5.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -28.641363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.641363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.641363 (E_RNA) where: Base-Base interactions energy: -9.051 where: short stacking energy: -9.051 Base-Backbone interact. energy: -0.000 local terms energy: -19.590144 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: 0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -35.457703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.457703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.457703 (E_RNA) where: Base-Base interactions energy: -13.754 where: short stacking energy: -12.823 Base-Backbone interact. energy: -0.110 local terms energy: -21.593026 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.194 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: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -35.022860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.022860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.022860 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.000 local terms energy: -20.865882 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -37.755289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.755289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.755289 (E_RNA) where: Base-Base interactions energy: -13.338 where: short stacking energy: -13.338 Base-Backbone interact. energy: -0.001 local terms energy: -24.416030 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -4.243 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: 170 Temperature: 1.050000 Total energy: -39.913982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.913982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.913982 (E_RNA) where: Base-Base interactions energy: -15.451 where: short stacking energy: -15.451 Base-Backbone interact. energy: -0.084 local terms energy: -24.378687 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -2.417 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: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -30.633218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.633218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.633218 (E_RNA) where: Base-Base interactions energy: -10.981 where: short stacking energy: -10.981 Base-Backbone interact. energy: -0.037 local terms energy: -19.614602 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: 0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -34.749737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.749737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.749737 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -12.331 Base-Backbone interact. energy: -0.021 local terms energy: -24.143810 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -3.735 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: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -40.048899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.048899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.048899 (E_RNA) where: Base-Base interactions energy: -16.033 where: short stacking energy: -16.033 Base-Backbone interact. energy: -0.000 local terms energy: -24.015613 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -2.589 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: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -32.704469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.704469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.704469 (E_RNA) where: Base-Base interactions energy: -11.391 where: short stacking energy: -11.391 Base-Backbone interact. energy: -0.037 local terms energy: -21.277325 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -29.598015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.598015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.598015 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.036 local terms energy: -19.242395 where: bonds (distance) C4'-P energy: -2.447 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -26.422509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.422509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.422509 (E_RNA) where: Base-Base interactions energy: -5.760 where: short stacking energy: -5.760 Base-Backbone interact. energy: -0.000 local terms energy: -20.661936 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -37.365092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.365092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.365092 (E_RNA) where: Base-Base interactions energy: -12.885 where: short stacking energy: -12.885 Base-Backbone interact. energy: -0.055 local terms energy: -24.425267 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -39.406392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.406392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.406392 (E_RNA) where: Base-Base interactions energy: -16.766 where: short stacking energy: -16.766 Base-Backbone interact. energy: -0.002 local terms energy: -22.638375 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -37.953279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.953279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.953279 (E_RNA) where: Base-Base interactions energy: -17.208 where: short stacking energy: -17.208 Base-Backbone interact. energy: -0.016 local terms energy: -20.729465 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -38.865112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.865112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.865112 (E_RNA) where: Base-Base interactions energy: -12.414 where: short stacking energy: -12.414 Base-Backbone interact. energy: -0.005 local terms energy: -26.446262 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -36.143240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.143240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.143240 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.000 local terms energy: -24.455934 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -4.509 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: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -32.564511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.564511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.564511 (E_RNA) where: Base-Base interactions energy: -8.808 where: short stacking energy: -8.808 Base-Backbone interact. energy: -0.000 local terms energy: -23.756434 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -34.211444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.211444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.211444 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.420 Base-Backbone interact. energy: -0.000 local terms energy: -21.791280 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -1.249 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -30.537896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.537896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.537896 (E_RNA) where: Base-Base interactions energy: -7.153 where: short stacking energy: -7.153 Base-Backbone interact. energy: -0.015 local terms energy: -23.370828 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -30.720671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.720671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.720671 (E_RNA) where: Base-Base interactions energy: -8.358 where: short stacking energy: -8.358 Base-Backbone interact. energy: -0.000 local terms energy: -22.362521 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -26.814733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.814733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.814733 (E_RNA) where: Base-Base interactions energy: -8.006 where: short stacking energy: -8.006 Base-Backbone interact. energy: -0.044 local terms energy: -18.764468 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.802 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -38.576879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.576879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.576879 (E_RNA) where: Base-Base interactions energy: -16.806 where: short stacking energy: -16.806 Base-Backbone interact. energy: -0.004 local terms energy: -21.766989 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -37.422724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.422724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.422724 (E_RNA) where: Base-Base interactions energy: -13.938 where: short stacking energy: -13.938 Base-Backbone interact. energy: -0.021 local terms energy: -23.462779 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -37.321738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.321738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.321738 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -25.372512 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -33.047879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.047879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.047879 (E_RNA) where: Base-Base interactions energy: -12.621 where: short stacking energy: -12.621 Base-Backbone interact. energy: -0.057 local terms energy: -20.369597 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -4.074 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -5.039 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: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -40.627494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.627494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.627494 (E_RNA) where: Base-Base interactions energy: -15.490 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.002 local terms energy: -25.135681 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.116 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: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -34.178918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.178918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.178918 (E_RNA) where: Base-Base interactions energy: -10.483 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.076 local terms energy: -23.620326 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.176 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: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -27.124289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.124289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.124289 (E_RNA) where: Base-Base interactions energy: -5.904 where: short stacking energy: -6.427 Base-Backbone interact. energy: -0.024 local terms energy: -21.196172 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -2.334 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: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -33.666146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.666146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.666146 (E_RNA) where: Base-Base interactions energy: -8.638 where: short stacking energy: -8.638 Base-Backbone interact. energy: -0.122 local terms energy: -24.907042 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -4.477 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: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -29.934930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.934930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.934930 (E_RNA) where: Base-Base interactions energy: -9.987 where: short stacking energy: -10.587 Base-Backbone interact. energy: -0.100 local terms energy: -19.848115 where: bonds (distance) C4'-P energy: -2.670 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -4.566 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: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -33.459961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.459961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.459961 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.001 local terms energy: -21.984077 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -1.293 tors. eta vs tors. theta energy: -5.399 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: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -34.456743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.456743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.456743 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.060 local terms energy: -25.794788 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -5.327 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: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -38.846804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.846804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.846804 (E_RNA) where: Base-Base interactions energy: -13.818 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.030 local terms energy: -24.999170 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -1.993 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -34.325978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.325978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.325978 (E_RNA) where: Base-Base interactions energy: -10.599 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.002 local terms energy: -23.724695 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -35.138717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.138717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.138717 (E_RNA) where: Base-Base interactions energy: -11.974 where: short stacking energy: -11.974 Base-Backbone interact. energy: -0.034 local terms energy: -23.131081 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -35.327501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.327501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.327501 (E_RNA) where: Base-Base interactions energy: -14.584 where: short stacking energy: -14.584 Base-Backbone interact. energy: -0.079 local terms energy: -20.663992 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -2.854 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: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -29.460066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.460066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.460066 (E_RNA) where: Base-Base interactions energy: -8.363 where: short stacking energy: -9.086 Base-Backbone interact. energy: -0.001 local terms energy: -21.096747 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -27.044170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.044170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.044170 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: -6.708 Base-Backbone interact. energy: 0.196 local terms energy: -20.531851 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -4.702 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -32.203147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203147 (E_RNA) where: Base-Base interactions energy: -12.100 where: short stacking energy: -12.100 Base-Backbone interact. energy: -0.073 local terms energy: -20.029964 where: bonds (distance) C4'-P energy: -2.835 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -2.575 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: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -31.477248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.477248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.477248 (E_RNA) where: Base-Base interactions energy: -12.782 where: short stacking energy: -12.782 Base-Backbone interact. energy: -0.001 local terms energy: -18.694094 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -3.004 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -30.436803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.436803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.436803 (E_RNA) where: Base-Base interactions energy: -8.110 where: short stacking energy: -8.110 Base-Backbone interact. energy: -0.000 local terms energy: -22.327102 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -1.762 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: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -43.048690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.048690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.048690 (E_RNA) where: Base-Base interactions energy: -17.026 where: short stacking energy: -17.026 Base-Backbone interact. energy: -0.000 local terms energy: -26.022397 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -4.714 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: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -38.222939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.222939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.222939 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.070 local terms energy: -24.726317 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.933 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: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -37.659825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.659825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.659825 (E_RNA) where: Base-Base interactions energy: -16.687 where: short stacking energy: -16.687 Base-Backbone interact. energy: -0.000 local terms energy: -20.972630 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.551 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: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -42.420282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.420282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.420282 (E_RNA) where: Base-Base interactions energy: -17.534 where: short stacking energy: -17.534 Base-Backbone interact. energy: -0.002 local terms energy: -24.884093 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -6.593 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: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -36.652841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.652841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.652841 (E_RNA) where: Base-Base interactions energy: -17.731 where: short stacking energy: -17.731 Base-Backbone interact. energy: 0.772 local terms energy: -19.694132 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -31.677813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.677813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.677813 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.052 local terms energy: -20.619465 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -3.775 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -31.909295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.909295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.909295 (E_RNA) where: Base-Base interactions energy: -13.048 where: short stacking energy: -13.048 Base-Backbone interact. energy: -0.000 local terms energy: -18.861148 where: bonds (distance) C4'-P energy: -0.877 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -1.746 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: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -32.454148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.454148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.454148 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.019 local terms energy: -20.956818 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -1.365 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -29.581344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.581344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.581344 (E_RNA) where: Base-Base interactions energy: -6.806 where: short stacking energy: -6.806 Base-Backbone interact. energy: -0.097 local terms energy: -22.678219 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -5.119 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: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -29.525423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.525423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.525423 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: -0.131 local terms energy: -21.809335 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -2.552 flat angles P-C4'-P energy: -4.508 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: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -40.085506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.085506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.085506 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.008 local terms energy: -26.082093 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -39.771029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.771029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.771029 (E_RNA) where: Base-Base interactions energy: -15.629 where: short stacking energy: -15.629 Base-Backbone interact. energy: -0.010 local terms energy: -24.132060 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -5.022 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: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -36.131941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.131941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.131941 (E_RNA) where: Base-Base interactions energy: -13.770 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.000 local terms energy: -22.361632 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.175 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: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -33.291905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.291905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.291905 (E_RNA) where: Base-Base interactions energy: -12.295 where: short stacking energy: -12.295 Base-Backbone interact. energy: -0.021 local terms energy: -20.975829 where: bonds (distance) C4'-P energy: -5.675 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -0.392 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -35.541348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.541348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.541348 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.006 local terms energy: -22.228023 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -4.415 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: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -32.429838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429838 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.026 local terms energy: -19.668500 where: bonds (distance) C4'-P energy: -4.441 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -28.856590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.856590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.856590 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.096 local terms energy: -19.749792 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -3.160 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -29.635442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635442 (E_RNA) where: Base-Base interactions energy: -9.071 where: short stacking energy: -9.071 Base-Backbone interact. energy: -0.011 local terms energy: -20.553243 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -1.142 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -29.356660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.356660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.356660 (E_RNA) where: Base-Base interactions energy: -9.996 where: short stacking energy: -9.996 Base-Backbone interact. energy: -0.097 local terms energy: -19.263882 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -2.624 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: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -28.320923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.320923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.320923 (E_RNA) where: Base-Base interactions energy: -11.973 where: short stacking energy: -11.973 Base-Backbone interact. energy: -0.002 local terms energy: -16.346057 where: bonds (distance) C4'-P energy: -3.850 bonds (distance) P-C4' energy: -5.166 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -2.547 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: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -39.685162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.685162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.685162 (E_RNA) where: Base-Base interactions energy: -15.202 where: short stacking energy: -15.202 Base-Backbone interact. energy: -0.000 local terms energy: -24.483236 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -42.300805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.300805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.300805 (E_RNA) where: Base-Base interactions energy: -16.935 where: short stacking energy: -16.935 Base-Backbone interact. energy: -0.190 local terms energy: -25.175322 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -4.528 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: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -39.774882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.774882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.774882 (E_RNA) where: Base-Base interactions energy: -17.732 where: short stacking energy: -17.732 Base-Backbone interact. energy: -0.050 local terms energy: -21.993454 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -33.683905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.683905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.683905 (E_RNA) where: Base-Base interactions energy: -9.240 where: short stacking energy: -9.240 Base-Backbone interact. energy: -0.001 local terms energy: -24.443047 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -32.202477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.202477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.202477 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -13.244 Base-Backbone interact. energy: -0.039 local terms energy: -18.919253 where: bonds (distance) C4'-P energy: -3.121 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -1.898 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: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -29.397169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.397169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.397169 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -10.339 Base-Backbone interact. energy: 0.377 local terms energy: -18.451324 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -3.607 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: 0.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -31.439848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.439848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.439848 (E_RNA) where: Base-Base interactions energy: -12.468 where: short stacking energy: -12.468 Base-Backbone interact. energy: -0.000 local terms energy: -18.971479 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -0.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -28.344614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.344614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.344614 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.181 local terms energy: -17.892748 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -0.923 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: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -31.286623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.286623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.286623 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -0.035 local terms energy: -22.833111 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.638 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -28.144903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.144903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.144903 (E_RNA) where: Base-Base interactions energy: -6.209 where: short stacking energy: -6.209 Base-Backbone interact. energy: -0.097 local terms energy: -21.839082 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -2.466 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: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -42.987883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.987883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.987883 (E_RNA) where: Base-Base interactions energy: -14.742 where: short stacking energy: -14.742 Base-Backbone interact. energy: -0.001 local terms energy: -28.244435 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -5.440 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: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -37.126316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.126316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.126316 (E_RNA) where: Base-Base interactions energy: -13.025 where: short stacking energy: -13.025 Base-Backbone interact. energy: -0.439 local terms energy: -23.662434 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -4.005 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: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -35.459914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.459914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.459914 (E_RNA) where: Base-Base interactions energy: -13.191 where: short stacking energy: -13.191 Base-Backbone interact. energy: -0.001 local terms energy: -22.268330 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -43.444129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.444129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.444129 (E_RNA) where: Base-Base interactions energy: -16.430 where: short stacking energy: -16.430 Base-Backbone interact. energy: -0.000 local terms energy: -27.014020 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.619 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: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -37.104708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.104708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.104708 (E_RNA) where: Base-Base interactions energy: -13.773 where: short stacking energy: -13.773 Base-Backbone interact. energy: -0.000 local terms energy: -23.331328 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -1.255 tors. eta vs tors. theta energy: -5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -32.066833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.066833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.066833 (E_RNA) where: Base-Base interactions energy: -13.416 where: short stacking energy: -13.416 Base-Backbone interact. energy: -0.005 local terms energy: -18.645935 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -3.541 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: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -30.750081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.750081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.750081 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: 0.061 local terms energy: -19.286625 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -33.025733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.025733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.025733 (E_RNA) where: Base-Base interactions energy: -9.541 where: short stacking energy: -9.541 Base-Backbone interact. energy: -0.016 local terms energy: -23.468412 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -30.278792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.278792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.278792 (E_RNA) where: Base-Base interactions energy: -8.138 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.003 local terms energy: -22.137366 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -27.179500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.179500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.179500 (E_RNA) where: Base-Base interactions energy: -8.865 where: short stacking energy: -8.865 Base-Backbone interact. energy: -0.003 local terms energy: -18.311508 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: 1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -39.578308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.578308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.578308 (E_RNA) where: Base-Base interactions energy: -15.489 where: short stacking energy: -16.751 Base-Backbone interact. energy: -0.852 local terms energy: -23.237945 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -3.352 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.498 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: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -41.786961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.786961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.786961 (E_RNA) where: Base-Base interactions energy: -16.454 where: short stacking energy: -16.454 Base-Backbone interact. energy: -0.001 local terms energy: -25.331754 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -39.672097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.672097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.672097 (E_RNA) where: Base-Base interactions energy: -13.291 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.000 local terms energy: -26.381453 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -5.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -36.223355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.223355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.223355 (E_RNA) where: Base-Base interactions energy: -11.775 where: short stacking energy: -11.775 Base-Backbone interact. energy: -0.003 local terms energy: -24.445007 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -5.374 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: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -31.196760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.196760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.196760 (E_RNA) where: Base-Base interactions energy: -9.306 where: short stacking energy: -9.306 Base-Backbone interact. energy: -0.000 local terms energy: -21.891036 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -2.392 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: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -31.320079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.320079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.320079 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.055 local terms energy: -23.111720 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -32.558575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558575 (E_RNA) where: Base-Base interactions energy: -9.929 where: short stacking energy: -9.929 Base-Backbone interact. energy: -0.010 local terms energy: -22.619654 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -30.777155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.777155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.777155 (E_RNA) where: Base-Base interactions energy: -10.772 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.000 local terms energy: -20.004417 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -28.532474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.532474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.532474 (E_RNA) where: Base-Base interactions energy: -9.154 where: short stacking energy: -9.154 Base-Backbone interact. energy: -0.012 local terms energy: -19.366510 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -2.384 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: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -28.509903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.509903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.509903 (E_RNA) where: Base-Base interactions energy: -7.150 where: short stacking energy: -7.150 Base-Backbone interact. energy: -0.012 local terms energy: -21.347460 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -43.046935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.046935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.046935 (E_RNA) where: Base-Base interactions energy: -15.867 where: short stacking energy: -15.867 Base-Backbone interact. energy: -0.000 local terms energy: -27.179214 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -37.329518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.329518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.329518 (E_RNA) where: Base-Base interactions energy: -12.833 where: short stacking energy: -12.833 Base-Backbone interact. energy: -0.001 local terms energy: -24.495184 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -36.918155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.918155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.918155 (E_RNA) where: Base-Base interactions energy: -12.753 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.000 local terms energy: -24.165201 where: bonds (distance) C4'-P energy: -3.721 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.681 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: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -36.263743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.263743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.263743 (E_RNA) where: Base-Base interactions energy: -14.077 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.000 local terms energy: -22.186414 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -1.613 tors. eta vs tors. theta energy: -5.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -34.568282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.568282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.568282 (E_RNA) where: Base-Base interactions energy: -13.796 where: short stacking energy: -13.796 Base-Backbone interact. energy: -0.012 local terms energy: -20.759979 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -2.930 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: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -27.558101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.558101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.558101 (E_RNA) where: Base-Base interactions energy: -8.123 where: short stacking energy: -8.123 Base-Backbone interact. energy: -0.000 local terms energy: -19.435229 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -33.649106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.649106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.649106 (E_RNA) where: Base-Base interactions energy: -12.856 where: short stacking energy: -12.856 Base-Backbone interact. energy: -0.141 local terms energy: -20.651468 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -2.784 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: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -31.001315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.001315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.001315 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.033 local terms energy: -21.484156 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -3.892 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: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -30.957739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.957739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.957739 (E_RNA) where: Base-Base interactions energy: -8.293 where: short stacking energy: -8.293 Base-Backbone interact. energy: -0.001 local terms energy: -22.663087 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -2.384 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: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -32.984443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984443 (E_RNA) where: Base-Base interactions energy: -9.065 where: short stacking energy: -9.065 Base-Backbone interact. energy: -0.003 local terms energy: -23.915647 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -38.894934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.894934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.894934 (E_RNA) where: Base-Base interactions energy: -12.350 where: short stacking energy: -12.350 Base-Backbone interact. energy: -0.685 local terms energy: -25.859677 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.106 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: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -37.718482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.718482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.718482 (E_RNA) where: Base-Base interactions energy: -13.624 where: short stacking energy: -13.624 Base-Backbone interact. energy: -0.705 local terms energy: -23.390043 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -37.773205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.773205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.773205 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -10.907 Base-Backbone interact. energy: -0.002 local terms energy: -26.864288 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -5.082 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: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -35.454164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.454164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.454164 (E_RNA) where: Base-Base interactions energy: -13.015 where: short stacking energy: -13.015 Base-Backbone interact. energy: -0.076 local terms energy: -22.362369 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -3.800 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: 5, replica: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -37.128720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.128720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.128720 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.000 local terms energy: -24.474433 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -3.851 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: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -37.247327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.247327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.247327 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.100 local terms energy: -25.219098 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -4.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -34.058101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.058101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.058101 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: -0.083 local terms energy: -24.388402 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -3.974 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: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -33.914288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.914288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.914288 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -12.963 Base-Backbone interact. energy: -0.088 local terms energy: -20.863891 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -27.815140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.815140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.815140 (E_RNA) where: Base-Base interactions energy: -7.906 where: short stacking energy: -7.906 Base-Backbone interact. energy: -0.030 local terms energy: -19.879169 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: 2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -29.713419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.713419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.713419 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.308 Base-Backbone interact. energy: -0.001 local terms energy: -22.781010 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.602 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: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -44.756058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.756058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.756058 (E_RNA) where: Base-Base interactions energy: -17.316 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.001 local terms energy: -27.439609 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -5.347 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: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -43.260851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.260851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.260851 (E_RNA) where: Base-Base interactions energy: -16.640 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.000 local terms energy: -26.620481 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -5.350 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -38.815732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.815732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.815732 (E_RNA) where: Base-Base interactions energy: -12.877 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.099 local terms energy: -25.839452 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -37.894353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.894353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.894353 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.000 local terms energy: -25.974487 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -36.315898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.315898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.315898 (E_RNA) where: Base-Base interactions energy: -12.784 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.097 local terms energy: -23.435022 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -4.235 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: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -37.375125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.375125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.375125 (E_RNA) where: Base-Base interactions energy: -13.072 where: short stacking energy: -13.072 Base-Backbone interact. energy: -0.000 local terms energy: -24.302907 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -37.628733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.628733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.628733 (E_RNA) where: Base-Base interactions energy: -15.895 where: short stacking energy: -15.895 Base-Backbone interact. energy: -0.000 local terms energy: -21.733672 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -32.494417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.494417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.494417 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -8.137 Base-Backbone interact. energy: -0.010 local terms energy: -22.786807 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -4.272 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: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -32.300216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.300216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.300216 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.010 local terms energy: -19.743372 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -4.527 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: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -28.289035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.289035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.289035 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -9.696 Base-Backbone interact. energy: -0.000 local terms energy: -18.592564 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -3.498 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: 0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -40.764186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.764186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.764186 (E_RNA) where: Base-Base interactions energy: -15.387 where: short stacking energy: -15.387 Base-Backbone interact. energy: -0.000 local terms energy: -25.377576 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -36.063169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.063169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.063169 (E_RNA) where: Base-Base interactions energy: -11.484 where: short stacking energy: -11.484 Base-Backbone interact. energy: -0.012 local terms energy: -24.566860 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -34.403659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403659 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.000 local terms energy: -22.741023 where: bonds (distance) C4'-P energy: -3.622 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -34.974315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.974315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.974315 (E_RNA) where: Base-Base interactions energy: -12.022 where: short stacking energy: -12.022 Base-Backbone interact. energy: -0.000 local terms energy: -22.951640 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -32.890913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.890913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.890913 (E_RNA) where: Base-Base interactions energy: -11.471 where: short stacking energy: -11.471 Base-Backbone interact. energy: -0.000 local terms energy: -21.420103 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -36.271236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.271236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.271236 (E_RNA) where: Base-Base interactions energy: -13.629 where: short stacking energy: -13.629 Base-Backbone interact. energy: -0.000 local terms energy: -22.642246 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -3.393 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -3.348 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: 7, replica: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -33.587347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.587347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.587347 (E_RNA) where: Base-Base interactions energy: -13.040 where: short stacking energy: -13.040 Base-Backbone interact. energy: -0.018 local terms energy: -20.529403 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.764 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: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -28.712587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.712587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.712587 (E_RNA) where: Base-Base interactions energy: -9.391 where: short stacking energy: -9.391 Base-Backbone interact. energy: -0.004 local terms energy: -19.318090 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -30.985132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.985132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.985132 (E_RNA) where: Base-Base interactions energy: -9.905 where: short stacking energy: -9.905 Base-Backbone interact. energy: -0.749 local terms energy: -20.331336 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -34.435968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.435968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.435968 (E_RNA) where: Base-Base interactions energy: -9.889 where: short stacking energy: -9.889 Base-Backbone interact. energy: -0.000 local terms energy: -24.547025 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -5.100 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: 1, replica: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -41.590132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.590132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.590132 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.002 local terms energy: -25.384032 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -39.013443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.013443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.013443 (E_RNA) where: Base-Base interactions energy: -12.602 where: short stacking energy: -12.602 Base-Backbone interact. energy: -0.001 local terms energy: -26.411084 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -5.203 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: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -38.993548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.993548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.993548 (E_RNA) where: Base-Base interactions energy: -12.540 where: short stacking energy: -12.540 Base-Backbone interact. energy: -0.000 local terms energy: -26.453178 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.638 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -5.169 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: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -37.170042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.170042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.170042 (E_RNA) where: Base-Base interactions energy: -14.195 where: short stacking energy: -14.195 Base-Backbone interact. energy: -0.003 local terms energy: -22.972530 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -4.191 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: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -40.707024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.707024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.707024 (E_RNA) where: Base-Base interactions energy: -12.799 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.000 local terms energy: -27.907971 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -32.837540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.837540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.837540 (E_RNA) where: Base-Base interactions energy: -14.284 where: short stacking energy: -14.284 Base-Backbone interact. energy: -0.018 local terms energy: -18.536066 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -29.705027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.705027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.705027 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -4.642 Base-Backbone interact. energy: -0.004 local terms energy: -20.555830 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: 0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -32.484567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.484567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.484567 (E_RNA) where: Base-Base interactions energy: -11.292 where: short stacking energy: -11.292 Base-Backbone interact. energy: -0.007 local terms energy: -21.185887 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -1.826 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -34.437604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.437604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.437604 (E_RNA) where: Base-Base interactions energy: -13.177 where: short stacking energy: -13.177 Base-Backbone interact. energy: 0.954 local terms energy: -22.214568 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.267 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -1.792 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: 10, replica: 6 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -30.759850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.759850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.759850 (E_RNA) where: Base-Base interactions energy: -10.179 where: short stacking energy: -6.887 Base-Backbone interact. energy: -0.291 local terms energy: -20.290518 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.606 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: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -35.618639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.618639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.618639 (E_RNA) where: Base-Base interactions energy: -11.174 where: short stacking energy: -11.174 Base-Backbone interact. energy: 0.322 local terms energy: -24.766282 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -36.794844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.794844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.794844 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -13.415 Base-Backbone interact. energy: -0.015 local terms energy: -23.365238 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.367 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: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -38.509044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.509044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.509044 (E_RNA) where: Base-Base interactions energy: -16.433 where: short stacking energy: -16.433 Base-Backbone interact. energy: -0.000 local terms energy: -22.075796 where: bonds (distance) C4'-P energy: -2.909 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -41.783663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.783663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.783663 (E_RNA) where: Base-Base interactions energy: -16.722 where: short stacking energy: -16.722 Base-Backbone interact. energy: -0.001 local terms energy: -25.061234 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -3.993 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: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -38.116092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.116092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.116092 (E_RNA) where: Base-Base interactions energy: -14.497 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.003 local terms energy: -23.615947 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -4.985 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: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -32.274221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.274221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.274221 (E_RNA) where: Base-Base interactions energy: -15.053 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.006 local terms energy: -17.215176 where: bonds (distance) C4'-P energy: -2.268 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -28.540010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.540010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.540010 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.043 Base-Backbone interact. energy: -0.016 local terms energy: -16.507053 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -1.719 tors. eta vs tors. theta energy: 0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -30.755922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.755922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.755922 (E_RNA) where: Base-Base interactions energy: -10.184 where: short stacking energy: -10.184 Base-Backbone interact. energy: -0.013 local terms energy: -20.558339 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.984 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -5.046 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: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -36.847239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.847239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.847239 (E_RNA) where: Base-Base interactions energy: -13.061 where: short stacking energy: -13.061 Base-Backbone interact. energy: -0.000 local terms energy: -23.786062 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -29.993477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.993477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.993477 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.020 local terms energy: -22.065245 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -44.915493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.915493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.915493 (E_RNA) where: Base-Base interactions energy: -18.929 where: short stacking energy: -18.929 Base-Backbone interact. energy: -0.001 local terms energy: -25.985234 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -38.405725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.405725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.405725 (E_RNA) where: Base-Base interactions energy: -14.469 where: short stacking energy: -14.469 Base-Backbone interact. energy: -0.000 local terms energy: -23.936617 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.877 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -36.842701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.842701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.842701 (E_RNA) where: Base-Base interactions energy: -12.118 where: short stacking energy: -12.118 Base-Backbone interact. energy: -0.003 local terms energy: -24.721010 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -35.154360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.154360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.154360 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.000 local terms energy: -21.626937 where: bonds (distance) C4'-P energy: -2.902 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -36.204334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.204334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.204334 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -12.098 Base-Backbone interact. energy: -0.005 local terms energy: -24.100619 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -34.342064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.342064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.342064 (E_RNA) where: Base-Base interactions energy: -9.695 where: short stacking energy: -9.695 Base-Backbone interact. energy: -0.080 local terms energy: -24.567649 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -31.917964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.917964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.917964 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -8.753 Base-Backbone interact. energy: -0.013 local terms energy: -23.152440 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -5.169 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: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -33.568761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.568761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.568761 (E_RNA) where: Base-Base interactions energy: -8.846 where: short stacking energy: -8.846 Base-Backbone interact. energy: -0.000 local terms energy: -24.722506 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -28.548068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.548068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.548068 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.000 local terms energy: -19.325597 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -2.349 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -36.855798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.855798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.855798 (E_RNA) where: Base-Base interactions energy: -14.235 where: short stacking energy: -14.235 Base-Backbone interact. energy: -0.001 local terms energy: -22.619778 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -39.661119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.661119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.661119 (E_RNA) where: Base-Base interactions energy: -14.199 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.003 local terms energy: -25.459089 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -38.491460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.491460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.491460 (E_RNA) where: Base-Base interactions energy: -14.233 where: short stacking energy: -14.233 Base-Backbone interact. energy: -0.097 local terms energy: -24.161786 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.384 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: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -39.912961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.912961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.912961 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -13.044 Base-Backbone interact. energy: -0.018 local terms energy: -26.851800 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -4.992 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: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -39.473963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.473963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.473963 (E_RNA) where: Base-Base interactions energy: -14.990 where: short stacking energy: -14.990 Base-Backbone interact. energy: -0.000 local terms energy: -24.484358 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -30.402396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.402396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.402396 (E_RNA) where: Base-Base interactions energy: -7.227 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.032 local terms energy: -23.143960 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -37.816564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.816564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.816564 (E_RNA) where: Base-Base interactions energy: -11.691 where: short stacking energy: -11.691 Base-Backbone interact. energy: -0.046 local terms energy: -26.080000 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -5.447 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: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -30.129192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.129192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.129192 (E_RNA) where: Base-Base interactions energy: -9.702 where: short stacking energy: -9.702 Base-Backbone interact. energy: -0.057 local terms energy: -20.369653 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: 0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -27.327972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.327972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.327972 (E_RNA) where: Base-Base interactions energy: -9.847 where: short stacking energy: -9.847 Base-Backbone interact. energy: -0.001 local terms energy: -17.479764 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -1.958 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: 0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -36.285873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.285873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.285873 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -14.223 Base-Backbone interact. energy: -0.003 local terms energy: -22.059298 where: bonds (distance) C4'-P energy: -2.678 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -27.440155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.440155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.440155 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.003 local terms energy: -19.405413 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.248 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: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -41.164593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.164593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.164593 (E_RNA) where: Base-Base interactions energy: -16.189 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.909 local terms energy: -24.067341 where: bonds (distance) C4'-P energy: -2.964 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -5.111 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: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -36.093687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.093687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.093687 (E_RNA) where: Base-Base interactions energy: -12.359 where: short stacking energy: -12.359 Base-Backbone interact. energy: -0.009 local terms energy: -23.724924 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.816 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: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -34.141002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.141002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.141002 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.000 local terms energy: -25.570409 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -4.999 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: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -37.680364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.680364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.680364 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.000 local terms energy: -26.700521 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -35.236773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.236773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.236773 (E_RNA) where: Base-Base interactions energy: -11.471 where: short stacking energy: -11.471 Base-Backbone interact. energy: -0.000 local terms energy: -23.765731 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -33.490169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.490169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.490169 (E_RNA) where: Base-Base interactions energy: -11.204 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.001 local terms energy: -22.285416 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -32.281649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.281649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.281649 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.001 local terms energy: -19.663540 where: bonds (distance) C4'-P energy: -2.810 bonds (distance) P-C4' energy: -4.638 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -28.698990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.698990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.698990 (E_RNA) where: Base-Base interactions energy: -8.244 where: short stacking energy: -8.244 Base-Backbone interact. energy: -0.080 local terms energy: -20.374690 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: 0.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -28.980326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.980326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.980326 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.108 local terms energy: -19.120176 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -31.118807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.118807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.118807 (E_RNA) where: Base-Base interactions energy: -8.291 where: short stacking energy: -8.291 Base-Backbone interact. energy: -0.000 local terms energy: -22.827252 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -3.244 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -38.234379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.234379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.234379 (E_RNA) where: Base-Base interactions energy: -10.437 where: short stacking energy: -10.437 Base-Backbone interact. energy: -0.000 local terms energy: -27.797188 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -4.271 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: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -42.181847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.181847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.181847 (E_RNA) where: Base-Base interactions energy: -17.253 where: short stacking energy: -17.253 Base-Backbone interact. energy: -0.022 local terms energy: -24.906861 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -40.777982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.777982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.777982 (E_RNA) where: Base-Base interactions energy: -17.396 where: short stacking energy: -17.396 Base-Backbone interact. energy: -0.000 local terms energy: -23.381561 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -34.065493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.065493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.065493 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.078 local terms energy: -21.928709 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.377 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: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -36.866202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.866202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.866202 (E_RNA) where: Base-Base interactions energy: -13.669 where: short stacking energy: -13.669 Base-Backbone interact. energy: -0.000 local terms energy: -23.196967 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.357 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: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -31.463340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.463340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.463340 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -7.819 Base-Backbone interact. energy: -0.001 local terms energy: -22.636559 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -3.847 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: 7, replica: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -33.429967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.429967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.429967 (E_RNA) where: Base-Base interactions energy: -11.221 where: short stacking energy: -11.221 Base-Backbone interact. energy: -0.001 local terms energy: -22.208141 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -2.430 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -29.708082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.708082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.708082 (E_RNA) where: Base-Base interactions energy: -7.966 where: short stacking energy: -7.966 Base-Backbone interact. energy: -0.000 local terms energy: -21.742009 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -4.015 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: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -30.760761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.760761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.760761 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.487 local terms energy: -22.241733 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -30.177039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.177039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.177039 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -10.234 Base-Backbone interact. energy: -1.472 local terms energy: -18.853027 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: 0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -39.175657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.175657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.175657 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.000 local terms energy: -24.961378 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -38.722371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.722371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.722371 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -11.014 Base-Backbone interact. energy: -0.000 local terms energy: -27.708631 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -39.482680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.482680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.482680 (E_RNA) where: Base-Base interactions energy: -16.443 where: short stacking energy: -16.443 Base-Backbone interact. energy: -0.001 local terms energy: -23.038970 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.998 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -39.199271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.199271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.199271 (E_RNA) where: Base-Base interactions energy: -17.029 where: short stacking energy: -17.029 Base-Backbone interact. energy: -0.000 local terms energy: -22.169683 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -4.733 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -33.653095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.653095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.653095 (E_RNA) where: Base-Base interactions energy: -16.941 where: short stacking energy: -16.941 Base-Backbone interact. energy: -0.003 local terms energy: -16.709424 where: bonds (distance) C4'-P energy: -3.386 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -0.929 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -29.359226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.359226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.359226 (E_RNA) where: Base-Base interactions energy: -9.684 where: short stacking energy: -9.684 Base-Backbone interact. energy: -0.218 local terms energy: -19.457125 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -2.816 flat angles P-C4'-P energy: -4.763 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: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -33.179637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.179637 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.073 local terms energy: -24.342608 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -3.439 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: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -30.888722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.888722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.888722 (E_RNA) where: Base-Base interactions energy: -11.543 where: short stacking energy: -11.543 Base-Backbone interact. energy: -0.002 local terms energy: -19.344463 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -34.298736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.298736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.298736 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.018 local terms energy: -24.721828 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.008 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: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -31.372625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.372625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.372625 (E_RNA) where: Base-Base interactions energy: -7.454 where: short stacking energy: -7.454 Base-Backbone interact. energy: -0.002 local terms energy: -23.916638 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.536 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -38.843308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.843308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.843308 (E_RNA) where: Base-Base interactions energy: -12.985 where: short stacking energy: -12.985 Base-Backbone interact. energy: -1.973 local terms energy: -23.885243 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -34.557390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.557390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.557390 (E_RNA) where: Base-Base interactions energy: -9.155 where: short stacking energy: -9.155 Base-Backbone interact. energy: -0.071 local terms energy: -25.331489 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -37.930790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.930790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.930790 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.000 local terms energy: -24.709783 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -33.100467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.100467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.100467 (E_RNA) where: Base-Base interactions energy: -9.956 where: short stacking energy: -9.956 Base-Backbone interact. energy: -0.097 local terms energy: -23.047449 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -36.609007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.609007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.609007 (E_RNA) where: Base-Base interactions energy: -12.398 where: short stacking energy: -12.398 Base-Backbone interact. energy: -0.001 local terms energy: -24.209914 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -34.925535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.925535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.925535 (E_RNA) where: Base-Base interactions energy: -17.067 where: short stacking energy: -17.067 Base-Backbone interact. energy: -0.000 local terms energy: -17.858480 where: bonds (distance) C4'-P energy: -0.744 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -4.397 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: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -30.489530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.489530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.489530 (E_RNA) where: Base-Base interactions energy: -6.852 where: short stacking energy: -6.852 Base-Backbone interact. energy: -0.010 local terms energy: -23.628008 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.694 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: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -35.113136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.113136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.113136 (E_RNA) where: Base-Base interactions energy: -11.680 where: short stacking energy: -11.680 Base-Backbone interact. energy: -0.000 local terms energy: -23.432698 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -0.336 tors. eta vs tors. theta energy: -6.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -29.625524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.625524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.625524 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.097 local terms energy: -21.685747 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.623 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: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -32.664798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.664798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.664798 (E_RNA) where: Base-Base interactions energy: -12.826 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.000 local terms energy: -19.838634 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -2.634 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -4.614 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: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -44.781347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.781347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.781347 (E_RNA) where: Base-Base interactions energy: -17.814 where: short stacking energy: -17.814 Base-Backbone interact. energy: -0.039 local terms energy: -26.928474 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -41.977390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.977390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.977390 (E_RNA) where: Base-Base interactions energy: -17.762 where: short stacking energy: -17.762 Base-Backbone interact. energy: -0.000 local terms energy: -24.215585 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -2.950 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: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -36.571710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.571710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.571710 (E_RNA) where: Base-Base interactions energy: -12.791 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.010 local terms energy: -23.770058 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -35.474501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.474501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.474501 (E_RNA) where: Base-Base interactions energy: -17.020 where: short stacking energy: -17.032 Base-Backbone interact. energy: -0.005 local terms energy: -18.449816 where: bonds (distance) C4'-P energy: -3.291 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -1.405 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: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -36.097803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.097803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.097803 (E_RNA) where: Base-Base interactions energy: -13.004 where: short stacking energy: -13.004 Base-Backbone interact. energy: -0.000 local terms energy: -23.094272 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -2.436 flat angles P-C4'-P energy: -3.568 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: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -33.530773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.530773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.530773 (E_RNA) where: Base-Base interactions energy: -10.178 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.106 local terms energy: -23.246949 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -38.015322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.015322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.015322 (E_RNA) where: Base-Base interactions energy: -12.993 where: short stacking energy: -12.993 Base-Backbone interact. energy: -0.012 local terms energy: -25.010113 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -33.572547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.572547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.572547 (E_RNA) where: Base-Base interactions energy: -10.590 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.010 local terms energy: -22.972331 where: bonds (distance) C4'-P energy: -4.636 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.604 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: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -29.659777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.659777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.659777 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.002 local terms energy: -21.496737 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -2.393 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: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -29.872371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.872371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.872371 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.023 local terms energy: -20.341201 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -3.774 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: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -43.246415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.246415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.246415 (E_RNA) where: Base-Base interactions energy: -15.588 where: short stacking energy: -15.588 Base-Backbone interact. energy: -0.000 local terms energy: -27.658324 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -41.223467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.223467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.223467 (E_RNA) where: Base-Base interactions energy: -17.869 where: short stacking energy: -17.869 Base-Backbone interact. energy: -0.011 local terms energy: -23.343023 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.459 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: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -38.477417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.477417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.477417 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.158 local terms energy: -25.201684 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -36.091999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.091999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.091999 (E_RNA) where: Base-Base interactions energy: -13.194 where: short stacking energy: -13.194 Base-Backbone interact. energy: -0.009 local terms energy: -22.888513 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -36.827890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.827890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.827890 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.010 local terms energy: -25.315210 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -34.129164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.129164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.129164 (E_RNA) where: Base-Base interactions energy: -13.314 where: short stacking energy: -13.314 Base-Backbone interact. energy: -0.000 local terms energy: -20.815556 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -2.898 flat angles P-C4'-P energy: -3.411 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: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -34.400646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.400646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.400646 (E_RNA) where: Base-Base interactions energy: -12.755 where: short stacking energy: -12.755 Base-Backbone interact. energy: -0.000 local terms energy: -21.645403 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -33.479150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.479150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.479150 (E_RNA) where: Base-Base interactions energy: -9.399 where: short stacking energy: -9.399 Base-Backbone interact. energy: -0.019 local terms energy: -24.061157 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -33.872779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872779 (E_RNA) where: Base-Base interactions energy: -11.786 where: short stacking energy: -11.786 Base-Backbone interact. energy: -0.001 local terms energy: -22.085172 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -0.338 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -6.316 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: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -29.183343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.183343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.183343 (E_RNA) where: Base-Base interactions energy: -7.292 where: short stacking energy: -7.534 Base-Backbone interact. energy: -0.047 local terms energy: -21.844352 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.603 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: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -41.385098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.385098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.385098 (E_RNA) where: Base-Base interactions energy: -16.816 where: short stacking energy: -16.816 Base-Backbone interact. energy: -0.000 local terms energy: -24.568706 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -4.458 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: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -38.646895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.646895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.646895 (E_RNA) where: Base-Base interactions energy: -14.071 where: short stacking energy: -14.071 Base-Backbone interact. energy: -0.004 local terms energy: -24.572615 where: bonds (distance) C4'-P energy: -2.252 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -5.271 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: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -45.007777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.007777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.007777 (E_RNA) where: Base-Base interactions energy: -17.955 where: short stacking energy: -17.955 Base-Backbone interact. energy: 0.244 local terms energy: -27.296246 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -37.803913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.803913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.803913 (E_RNA) where: Base-Base interactions energy: -12.327 where: short stacking energy: -12.327 Base-Backbone interact. energy: -0.000 local terms energy: -25.477022 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -4.853 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: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -33.706998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.706998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.706998 (E_RNA) where: Base-Base interactions energy: -9.334 where: short stacking energy: -9.334 Base-Backbone interact. energy: -0.048 local terms energy: -24.324757 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -4.610 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: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -33.514246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.514246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.514246 (E_RNA) where: Base-Base interactions energy: -9.917 where: short stacking energy: -9.917 Base-Backbone interact. energy: -0.020 local terms energy: -23.577840 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -29.764865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.764865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.764865 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -9.343 Base-Backbone interact. energy: -0.002 local terms energy: -20.419767 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -1.938 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: 8, replica: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -29.313384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.313384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.313384 (E_RNA) where: Base-Base interactions energy: -8.512 where: short stacking energy: -8.512 Base-Backbone interact. energy: -0.009 local terms energy: -20.792777 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: 0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -29.606191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.606191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.606191 (E_RNA) where: Base-Base interactions energy: -13.104 where: short stacking energy: -13.104 Base-Backbone interact. energy: -0.000 local terms energy: -16.501723 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -2.625 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -31.229866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.229866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.229866 (E_RNA) where: Base-Base interactions energy: -14.827 where: short stacking energy: -14.827 Base-Backbone interact. energy: -0.002 local terms energy: -16.400852 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: 0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -42.446548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.446548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.446548 (E_RNA) where: Base-Base interactions energy: -17.181 where: short stacking energy: -17.181 Base-Backbone interact. energy: -0.002 local terms energy: -25.263613 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -38.929615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.929615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.929615 (E_RNA) where: Base-Base interactions energy: -13.734 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.001 local terms energy: -25.195033 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -34.344547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.344547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.344547 (E_RNA) where: Base-Base interactions energy: -13.184 where: short stacking energy: -13.184 Base-Backbone interact. energy: -0.092 local terms energy: -21.068529 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -4.760 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: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -36.825493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.825493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.825493 (E_RNA) where: Base-Base interactions energy: -12.845 where: short stacking energy: -12.845 Base-Backbone interact. energy: -0.000 local terms energy: -23.980668 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -36.242861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.242861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.242861 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.000 local terms energy: -22.816496 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -2.253 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: 194 Temperature: 1.150000 Total energy: -30.669675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.669675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.669675 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.097 local terms energy: -20.574063 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -3.650 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -36.249203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.249203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.249203 (E_RNA) where: Base-Base interactions energy: -14.620 where: short stacking energy: -14.620 Base-Backbone interact. energy: -0.000 local terms energy: -21.629560 where: bonds (distance) C4'-P energy: -2.314 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -1.632 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -36.167561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.167561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.167561 (E_RNA) where: Base-Base interactions energy: -12.979 where: short stacking energy: -12.979 Base-Backbone interact. energy: 0.374 local terms energy: -23.562891 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -33.135879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.135879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.135879 (E_RNA) where: Base-Base interactions energy: -8.331 where: short stacking energy: -8.331 Base-Backbone interact. energy: -0.000 local terms energy: -24.804662 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -26.886934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.886934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.886934 (E_RNA) where: Base-Base interactions energy: -8.705 where: short stacking energy: -8.705 Base-Backbone interact. energy: -0.038 local terms energy: -18.144276 where: bonds (distance) C4'-P energy: -2.165 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -36.911967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.911967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.911967 (E_RNA) where: Base-Base interactions energy: -13.526 where: short stacking energy: -13.526 Base-Backbone interact. energy: -0.049 local terms energy: -23.336734 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -4.331 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: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -40.879061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.879061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.879061 (E_RNA) where: Base-Base interactions energy: -15.437 where: short stacking energy: -15.437 Base-Backbone interact. energy: -0.001 local terms energy: -25.441266 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -34.995782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.995782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.995782 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -12.276 Base-Backbone interact. energy: -0.002 local terms energy: -22.717299 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.042 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: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -31.704046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704046 (E_RNA) where: Base-Base interactions energy: -12.014 where: short stacking energy: -12.014 Base-Backbone interact. energy: -0.000 local terms energy: -19.689896 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.382 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: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -36.827370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.827370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.827370 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.031 local terms energy: -23.293526 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -34.187244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.187244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.187244 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -9.507 Base-Backbone interact. energy: -0.001 local terms energy: -24.679341 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -32.359858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.359858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.359858 (E_RNA) where: Base-Base interactions energy: -10.510 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.000 local terms energy: -21.849135 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -2.659 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: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -32.743750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.743750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.743750 (E_RNA) where: Base-Base interactions energy: -12.680 where: short stacking energy: -12.680 Base-Backbone interact. energy: -0.008 local terms energy: -20.055768 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.740 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -28.365776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.365776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.365776 (E_RNA) where: Base-Base interactions energy: -8.741 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.028 local terms energy: -19.596599 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -3.680 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -30.276874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.276874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.276874 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.003 local terms energy: -19.863597 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.019 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -41.860745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.860745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.860745 (E_RNA) where: Base-Base interactions energy: -16.745 where: short stacking energy: -16.745 Base-Backbone interact. energy: 0.013 local terms energy: -25.129474 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -3.656 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: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -41.437841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.437841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.437841 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -13.148 Base-Backbone interact. energy: -0.000 local terms energy: -28.290288 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -38.527198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.527198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.527198 (E_RNA) where: Base-Base interactions energy: -16.645 where: short stacking energy: -16.645 Base-Backbone interact. energy: -0.000 local terms energy: -21.881574 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -37.014331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.014331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.014331 (E_RNA) where: Base-Base interactions energy: -11.548 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.081 local terms energy: -25.385114 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -31.073900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.073900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.073900 (E_RNA) where: Base-Base interactions energy: -8.941 where: short stacking energy: -8.941 Base-Backbone interact. energy: -0.342 local terms energy: -21.790714 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -3.336 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: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -36.221674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.221674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.221674 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.001 local terms energy: -22.973507 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -4.877 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: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -35.525355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.525355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.525355 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.000 local terms energy: -25.887677 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -29.794609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.794609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.794609 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.049 local terms energy: -21.329338 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.720 flat angles P-C4'-P energy: -5.182 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: 9, replica: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -36.545071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.545071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.545071 (E_RNA) where: Base-Base interactions energy: -15.919 where: short stacking energy: -15.919 Base-Backbone interact. energy: -0.000 local terms energy: -20.626187 where: bonds (distance) C4'-P energy: -2.376 bonds (distance) P-C4' energy: -3.028 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -3.920 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: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -27.753853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.753853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.753853 (E_RNA) where: Base-Base interactions energy: -8.307 where: short stacking energy: -8.307 Base-Backbone interact. energy: -0.000 local terms energy: -19.446695 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -2.947 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: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -40.137666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.137666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.137666 (E_RNA) where: Base-Base interactions energy: -14.840 where: short stacking energy: -14.840 Base-Backbone interact. energy: -0.000 local terms energy: -25.297032 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -38.827865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.827865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.827865 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.015 local terms energy: -25.021489 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -40.010162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.010162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.010162 (E_RNA) where: Base-Base interactions energy: -16.899 where: short stacking energy: -16.899 Base-Backbone interact. energy: -0.000 local terms energy: -23.110871 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -34.441293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.441293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.441293 (E_RNA) where: Base-Base interactions energy: -13.154 where: short stacking energy: -13.154 Base-Backbone interact. energy: -0.094 local terms energy: -21.192946 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.411 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: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -32.431240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.431240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.431240 (E_RNA) where: Base-Base interactions energy: -12.096 where: short stacking energy: -12.096 Base-Backbone interact. energy: -0.089 local terms energy: -20.245992 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -31.105102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105102 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.070 local terms energy: -22.151702 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.580 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: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -34.525939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.525939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.525939 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.166 local terms energy: -23.170611 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -31.674094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.674094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.674094 (E_RNA) where: Base-Base interactions energy: -12.157 where: short stacking energy: -12.157 Base-Backbone interact. energy: -0.029 local terms energy: -19.488133 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -4.204 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: 6 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -29.750537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.750537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.750537 (E_RNA) where: Base-Base interactions energy: -10.384 where: short stacking energy: -10.384 Base-Backbone interact. energy: -0.001 local terms energy: -19.366045 where: bonds (distance) C4'-P energy: -2.909 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.223 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -29.004571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.004571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.004571 (E_RNA) where: Base-Base interactions energy: -11.224 where: short stacking energy: -11.224 Base-Backbone interact. energy: 1.068 local terms energy: -18.848692 where: bonds (distance) C4'-P energy: -2.011 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -1.655 flat angles P-C4'-P energy: -4.432 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: 1, replica: 2 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -39.227993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227993 (E_RNA) where: Base-Base interactions energy: -13.749 where: short stacking energy: -13.749 Base-Backbone interact. energy: -0.012 local terms energy: -25.466318 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -3.416 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: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -37.484730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.484730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.484730 (E_RNA) where: Base-Base interactions energy: -13.142 where: short stacking energy: -13.142 Base-Backbone interact. energy: -0.014 local terms energy: -24.328978 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -5.767 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: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -36.451698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.451698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.451698 (E_RNA) where: Base-Base interactions energy: -11.764 where: short stacking energy: -11.764 Base-Backbone interact. energy: -0.000 local terms energy: -24.687744 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.249 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: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -35.234988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.234988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.234988 (E_RNA) where: Base-Base interactions energy: -11.586 where: short stacking energy: -11.886 Base-Backbone interact. energy: -0.024 local terms energy: -23.624280 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -31.880466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.880466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.880466 (E_RNA) where: Base-Base interactions energy: -8.960 where: short stacking energy: -8.960 Base-Backbone interact. energy: -0.001 local terms energy: -22.919268 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.544 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: 6, replica: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -38.271305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271305 (E_RNA) where: Base-Base interactions energy: -10.380 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.039 local terms energy: -27.851674 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -33.408655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.408655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.408655 (E_RNA) where: Base-Base interactions energy: -14.436 where: short stacking energy: -14.436 Base-Backbone interact. energy: -0.000 local terms energy: -18.972503 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.319 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -29.644147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.644147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.644147 (E_RNA) where: Base-Base interactions energy: -8.968 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.034 local terms energy: -20.642141 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.272 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -1.209 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: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -31.474029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.474029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.474029 (E_RNA) where: Base-Base interactions energy: -9.678 where: short stacking energy: -9.678 Base-Backbone interact. energy: -0.000 local terms energy: -21.795487 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.017 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: 10, replica: 6 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -31.850573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.850573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.850573 (E_RNA) where: Base-Base interactions energy: -8.326 where: short stacking energy: -8.326 Base-Backbone interact. energy: -0.000 local terms energy: -23.524056 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.662 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.537 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: 1, replica: 2 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -41.801601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.801601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.801601 (E_RNA) where: Base-Base interactions energy: -13.895 where: short stacking energy: -13.895 Base-Backbone interact. energy: -0.000 local terms energy: -27.906548 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -5.916 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: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -41.325704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.325704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.325704 (E_RNA) where: Base-Base interactions energy: -13.735 where: short stacking energy: -13.735 Base-Backbone interact. energy: -0.000 local terms energy: -27.591145 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -3.860 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: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -39.112081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.112081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.112081 (E_RNA) where: Base-Base interactions energy: -16.269 where: short stacking energy: -16.269 Base-Backbone interact. energy: -0.050 local terms energy: -22.793872 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -38.513669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.513669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.513669 (E_RNA) where: Base-Base interactions energy: -17.343 where: short stacking energy: -17.343 Base-Backbone interact. energy: -0.000 local terms energy: -21.169792 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.027 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -34.645692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.645692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.645692 (E_RNA) where: Base-Base interactions energy: -11.131 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.000 local terms energy: -23.514923 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -1.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -33.825786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.825786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.825786 (E_RNA) where: Base-Base interactions energy: -8.633 where: short stacking energy: -8.633 Base-Backbone interact. energy: -0.000 local terms energy: -25.192424 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.680 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: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -29.579769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.579769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.579769 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.010 local terms energy: -17.711719 where: bonds (distance) C4'-P energy: -2.024 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -4.198 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: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -34.207068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.207068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.207068 (E_RNA) where: Base-Base interactions energy: -11.173 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.000 local terms energy: -23.034381 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -1.421 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: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -28.847126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.847126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.847126 (E_RNA) where: Base-Base interactions energy: -7.643 where: short stacking energy: -7.643 Base-Backbone interact. energy: 0.127 local terms energy: -21.331148 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: 0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -27.467702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.467702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.467702 (E_RNA) where: Base-Base interactions energy: -9.540 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.132 local terms energy: -17.795525 where: bonds (distance) C4'-P energy: -3.058 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -3.409 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: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -36.909420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.909420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.909420 (E_RNA) where: Base-Base interactions energy: -13.070 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.001 local terms energy: -23.838166 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -5.500 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: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -39.131988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.131988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.131988 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: 0.101 local terms energy: -25.515383 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.866 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: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -35.426954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.426954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.426954 (E_RNA) where: Base-Base interactions energy: -14.279 where: short stacking energy: -14.279 Base-Backbone interact. energy: -0.091 local terms energy: -21.056690 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -38.491045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.491045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.491045 (E_RNA) where: Base-Base interactions energy: -15.159 where: short stacking energy: -15.159 Base-Backbone interact. energy: -0.034 local terms energy: -23.297687 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -4.309 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: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -34.792066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.792066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.792066 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.008 local terms energy: -23.813368 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -30.601944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.601944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.601944 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.630 Base-Backbone interact. energy: -0.010 local terms energy: -20.272339 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -34.811700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.811700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.811700 (E_RNA) where: Base-Base interactions energy: -11.956 where: short stacking energy: -11.956 Base-Backbone interact. energy: -0.028 local terms energy: -22.827202 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.577 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: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -33.278094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.278094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.278094 (E_RNA) where: Base-Base interactions energy: -12.902 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.002 local terms energy: -20.373999 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -28.937864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.937864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.937864 (E_RNA) where: Base-Base interactions energy: -8.929 where: short stacking energy: -8.929 Base-Backbone interact. energy: -0.026 local terms energy: -19.982721 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -0.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -29.481586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.481586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.481586 (E_RNA) where: Base-Base interactions energy: -9.109 where: short stacking energy: -9.109 Base-Backbone interact. energy: 0.404 local terms energy: -20.777091 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -4.066 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: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -46.164725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.164725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.164725 (E_RNA) where: Base-Base interactions energy: -18.074 where: short stacking energy: -18.074 Base-Backbone interact. energy: -0.000 local terms energy: -28.090708 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -42.867223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.867223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.867223 (E_RNA) where: Base-Base interactions energy: -16.650 where: short stacking energy: -16.650 Base-Backbone interact. energy: -0.000 local terms energy: -26.216684 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -37.845231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.845231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.845231 (E_RNA) where: Base-Base interactions energy: -14.420 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.003 local terms energy: -23.421803 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -38.140394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.140394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.140394 (E_RNA) where: Base-Base interactions energy: -13.226 where: short stacking energy: -13.226 Base-Backbone interact. energy: -0.093 local terms energy: -24.822148 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -38.199320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.199320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.199320 (E_RNA) where: Base-Base interactions energy: -14.469 where: short stacking energy: -14.469 Base-Backbone interact. energy: -0.006 local terms energy: -23.724393 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -5.138 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: 6, replica: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -32.882608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.882608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.882608 (E_RNA) where: Base-Base interactions energy: -9.779 where: short stacking energy: -9.779 Base-Backbone interact. energy: -0.000 local terms energy: -23.103755 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.187 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: 201 Temperature: 1.200000 Total energy: -36.445676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.445676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.445676 (E_RNA) where: Base-Base interactions energy: -14.961 where: short stacking energy: -14.961 Base-Backbone interact. energy: -0.005 local terms energy: -21.479782 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.886 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: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -31.985968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.985968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.985968 (E_RNA) where: Base-Base interactions energy: -9.376 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.008 local terms energy: -22.602262 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -31.223853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.223853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.223853 (E_RNA) where: Base-Base interactions energy: -10.329 where: short stacking energy: -10.329 Base-Backbone interact. energy: -0.020 local terms energy: -20.874537 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -1.826 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: 10, replica: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -28.145377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.145377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.145377 (E_RNA) where: Base-Base interactions energy: -7.493 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.055 local terms energy: -20.597979 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.350 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: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -39.380433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.380433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.380433 (E_RNA) where: Base-Base interactions energy: -13.420 where: short stacking energy: -13.420 Base-Backbone interact. energy: -0.026 local terms energy: -25.934521 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -5.013 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: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -47.772388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.772388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.772388 (E_RNA) where: Base-Base interactions energy: -17.632 where: short stacking energy: -17.632 Base-Backbone interact. energy: -0.000 local terms energy: -30.140673 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -6.441 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: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -36.912903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.912903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.912903 (E_RNA) where: Base-Base interactions energy: -17.268 where: short stacking energy: -17.268 Base-Backbone interact. energy: -0.000 local terms energy: -19.644657 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -0.820 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: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -36.400887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.400887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.400887 (E_RNA) where: Base-Base interactions energy: -12.163 where: short stacking energy: -12.163 Base-Backbone interact. energy: -0.046 local terms energy: -24.191203 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -32.247883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.247883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.247883 (E_RNA) where: Base-Base interactions energy: -9.090 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.268 local terms energy: -22.889856 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -31.383403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.383403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.383403 (E_RNA) where: Base-Base interactions energy: -9.380 where: short stacking energy: -9.380 Base-Backbone interact. energy: -0.002 local terms energy: -22.001669 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -32.997040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.997040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.997040 (E_RNA) where: Base-Base interactions energy: -11.056 where: short stacking energy: -11.056 Base-Backbone interact. energy: -0.000 local terms energy: -21.940586 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -4.424 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: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -34.665095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.665095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.665095 (E_RNA) where: Base-Base interactions energy: -13.292 where: short stacking energy: -13.292 Base-Backbone interact. energy: -0.000 local terms energy: -21.372725 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.274 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: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -33.843256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.843256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.843256 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.001 local terms energy: -21.073425 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -2.899 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: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -30.232132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.232132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.232132 (E_RNA) where: Base-Base interactions energy: -9.016 where: short stacking energy: -9.016 Base-Backbone interact. energy: -0.001 local terms energy: -21.215651 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -42.437899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.437899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.437899 (E_RNA) where: Base-Base interactions energy: -17.763 where: short stacking energy: -17.763 Base-Backbone interact. energy: -0.000 local terms energy: -24.675000 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -5.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -34.517622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.517622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.517622 (E_RNA) where: Base-Base interactions energy: -13.100 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.416977 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -1.430 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -42.161869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.161869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.161869 (E_RNA) where: Base-Base interactions energy: -16.128 where: short stacking energy: -16.128 Base-Backbone interact. energy: -0.120 local terms energy: -25.913864 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -34.275160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.275160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.275160 (E_RNA) where: Base-Base interactions energy: -9.315 where: short stacking energy: -9.315 Base-Backbone interact. energy: -0.007 local terms energy: -24.953683 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -5.622 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: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -35.096487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.096487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.096487 (E_RNA) where: Base-Base interactions energy: -12.556 where: short stacking energy: -12.556 Base-Backbone interact. energy: -0.013 local terms energy: -22.526671 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -2.857 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -32.604038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.604038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.604038 (E_RNA) where: Base-Base interactions energy: -11.643 where: short stacking energy: -11.643 Base-Backbone interact. energy: -0.037 local terms energy: -20.924198 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -4.547 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: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -29.929792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.929792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.929792 (E_RNA) where: Base-Base interactions energy: -8.734 where: short stacking energy: -8.734 Base-Backbone interact. energy: -0.019 local terms energy: -21.177350 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -3.516 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: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -30.492526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.492526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.492526 (E_RNA) where: Base-Base interactions energy: -9.223 where: short stacking energy: -9.223 Base-Backbone interact. energy: -0.008 local terms energy: -21.260874 where: bonds (distance) C4'-P energy: -3.584 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.919 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: 9, replica: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -33.528339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.528339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.528339 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.000 local terms energy: -21.525182 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -1.563 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: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -30.585614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.585614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.585614 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.110 local terms energy: -20.209369 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.953 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: 204 Temperature: 0.900000 Total energy: -41.011761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.011761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.011761 (E_RNA) where: Base-Base interactions energy: -16.858 where: short stacking energy: -16.858 Base-Backbone interact. energy: -0.002 local terms energy: -24.152335 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.069 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: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -40.009228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.009228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.009228 (E_RNA) where: Base-Base interactions energy: -14.519 where: short stacking energy: -14.519 Base-Backbone interact. energy: -0.007 local terms energy: -25.483266 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -5.149 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: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -35.287652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.287652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.287652 (E_RNA) where: Base-Base interactions energy: -12.451 where: short stacking energy: -12.451 Base-Backbone interact. energy: -0.000 local terms energy: -22.836577 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -37.023255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023255 (E_RNA) where: Base-Base interactions energy: -14.868 where: short stacking energy: -15.384 Base-Backbone interact. energy: -0.051 local terms energy: -22.103946 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -36.373002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.373002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.373002 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.001 local terms energy: -22.503170 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -31.749605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.749605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.749605 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.073 local terms energy: -23.353345 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: 0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -30.235948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.235948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.235948 (E_RNA) where: Base-Base interactions energy: -9.140 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.006 local terms energy: -21.089791 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -3.794 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: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -34.175049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.175049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.175049 (E_RNA) where: Base-Base interactions energy: -11.016 where: short stacking energy: -11.016 Base-Backbone interact. energy: -0.007 local terms energy: -23.152054 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -4.672 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: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -31.504698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.504698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.504698 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.107 local terms energy: -21.327181 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -31.845484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.845484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.845484 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -8.072 Base-Backbone interact. energy: -0.005 local terms energy: -24.034842 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -45.037170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.037170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.037170 (E_RNA) where: Base-Base interactions energy: -16.408 where: short stacking energy: -16.408 Base-Backbone interact. energy: -0.000 local terms energy: -28.629052 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -6.475 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: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -43.479657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.479657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.479657 (E_RNA) where: Base-Base interactions energy: -18.479 where: short stacking energy: -18.479 Base-Backbone interact. energy: -0.000 local terms energy: -25.001015 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.880 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: 3, replica: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -33.549421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.549421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.549421 (E_RNA) where: Base-Base interactions energy: -11.937 where: short stacking energy: -11.937 Base-Backbone interact. energy: -0.008 local terms energy: -21.604315 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -33.150673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.150673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.150673 (E_RNA) where: Base-Base interactions energy: -10.995 where: short stacking energy: -10.995 Base-Backbone interact. energy: -0.156 local terms energy: -21.999471 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -35.475466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.475466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.475466 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.000 local terms energy: -21.261415 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -35.305015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.305015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.305015 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -10.042 Base-Backbone interact. energy: -0.024 local terms energy: -24.668856 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.866 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: 7, replica: 9 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -33.567778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.567778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.567778 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.000 local terms energy: -26.124280 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -5.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -32.749016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.749016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.749016 (E_RNA) where: Base-Base interactions energy: -13.457 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.000 local terms energy: -19.292107 where: bonds (distance) C4'-P energy: -4.329 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.242 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: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -30.461896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.461896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.461896 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.017 local terms energy: -22.804760 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -27.935721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.935721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.935721 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.324 Base-Backbone interact. energy: -0.000 local terms energy: -20.639799 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -36.989042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.989042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.989042 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.160 local terms energy: -23.090702 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -5.108 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: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -37.057530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.057530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.057530 (E_RNA) where: Base-Base interactions energy: -15.303 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.001 local terms energy: -21.754014 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -35.553058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.553058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.553058 (E_RNA) where: Base-Base interactions energy: -14.244 where: short stacking energy: -14.244 Base-Backbone interact. energy: -0.021 local terms energy: -21.288162 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -33.137379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.137379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.137379 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.011 local terms energy: -21.797869 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -32.601291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.601291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.601291 (E_RNA) where: Base-Base interactions energy: -12.184 where: short stacking energy: -12.184 Base-Backbone interact. energy: -0.173 local terms energy: -20.244865 where: bonds (distance) C4'-P energy: -3.894 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -33.513357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.513357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.513357 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.009 local terms energy: -23.940151 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -3.441 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: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -41.002423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.002423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.002423 (E_RNA) where: Base-Base interactions energy: -15.932 where: short stacking energy: -15.932 Base-Backbone interact. energy: -0.000 local terms energy: -25.070002 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -3.300 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: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -32.238947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.238947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.238947 (E_RNA) where: Base-Base interactions energy: -12.088 where: short stacking energy: -12.088 Base-Backbone interact. energy: -0.051 local terms energy: -20.099991 where: bonds (distance) C4'-P energy: -2.843 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -1.556 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: 9, replica: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -27.916393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.916393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.916393 (E_RNA) where: Base-Base interactions energy: -7.567 where: short stacking energy: -7.567 Base-Backbone interact. energy: -0.099 local terms energy: -20.250336 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -28.160185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.160185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.160185 (E_RNA) where: Base-Base interactions energy: -10.480 where: short stacking energy: -10.480 Base-Backbone interact. energy: -0.018 local terms energy: -17.662423 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -3.740 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -40.543521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.543521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.543521 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -12.963 Base-Backbone interact. energy: -0.000 local terms energy: -27.580349 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -5.027 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: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -42.014776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.014776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.014776 (E_RNA) where: Base-Base interactions energy: -15.192 where: short stacking energy: -15.192 Base-Backbone interact. energy: -0.000 local terms energy: -26.822945 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -31.809838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.809838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.809838 (E_RNA) where: Base-Base interactions energy: -8.851 where: short stacking energy: -8.851 Base-Backbone interact. energy: -0.014 local terms energy: -22.944424 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -36.913530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.913530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.913530 (E_RNA) where: Base-Base interactions energy: -16.047 where: short stacking energy: -16.047 Base-Backbone interact. energy: -0.000 local terms energy: -20.866639 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -2.248 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: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -39.064031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.064031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.064031 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.002 local terms energy: -26.870285 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -34.981917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.981917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.981917 (E_RNA) where: Base-Base interactions energy: -12.505 where: short stacking energy: -12.505 Base-Backbone interact. energy: -0.014 local terms energy: -22.462109 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.257 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: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -41.570445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.570445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.570445 (E_RNA) where: Base-Base interactions energy: -17.154 where: short stacking energy: -17.154 Base-Backbone interact. energy: -0.000 local terms energy: -24.416118 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -3.939 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -6.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -31.676008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676008 (E_RNA) where: Base-Base interactions energy: -9.623 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.152 local terms energy: -21.900441 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -29.246635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.246635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.246635 (E_RNA) where: Base-Base interactions energy: -9.567 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.005 local terms energy: -19.674685 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -4.733 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.304 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: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -29.703731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.703731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.703731 (E_RNA) where: Base-Base interactions energy: -11.875 where: short stacking energy: -11.875 Base-Backbone interact. energy: -0.000 local terms energy: -17.828455 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -0.885 flat angles P-C4'-P energy: -2.826 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: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -44.235578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.235578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.235578 (E_RNA) where: Base-Base interactions energy: -18.921 where: short stacking energy: -18.921 Base-Backbone interact. energy: -0.000 local terms energy: -25.314191 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -4.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -39.586950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.586950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.586950 (E_RNA) where: Base-Base interactions energy: -14.934 where: short stacking energy: -14.934 Base-Backbone interact. energy: -0.000 local terms energy: -24.653092 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -4.663 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: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -38.051620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.051620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.051620 (E_RNA) where: Base-Base interactions energy: -14.429 where: short stacking energy: -13.039 Base-Backbone interact. energy: -0.017 local terms energy: -23.605589 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: 0.003 tors. eta vs tors. theta energy: -5.413 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: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -34.079729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.079729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.079729 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.003 local terms energy: -23.042136 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.158 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: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -34.209069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.209069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.209069 (E_RNA) where: Base-Base interactions energy: -9.580 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.000 local terms energy: -24.628839 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -4.119 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: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -32.170554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170554 (E_RNA) where: Base-Base interactions energy: -11.558 where: short stacking energy: -11.558 Base-Backbone interact. energy: -0.002 local terms energy: -20.610289 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -41.564381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.564381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.564381 (E_RNA) where: Base-Base interactions energy: -17.334 where: short stacking energy: -12.963 Base-Backbone interact. energy: -1.054 local terms energy: -23.176590 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.389 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: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -27.341711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.341711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.341711 (E_RNA) where: Base-Base interactions energy: -6.486 where: short stacking energy: -5.935 Base-Backbone interact. energy: -0.059 local terms energy: -20.796817 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: 0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -31.145073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.145073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.145073 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.001 local terms energy: -20.102514 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.453 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -33.125407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.125407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.125407 (E_RNA) where: Base-Base interactions energy: -10.880 where: short stacking energy: -10.880 Base-Backbone interact. energy: -0.000 local terms energy: -22.245237 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -2.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -42.193680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.193680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.193680 (E_RNA) where: Base-Base interactions energy: -17.235 where: short stacking energy: -17.235 Base-Backbone interact. energy: -0.000 local terms energy: -24.958741 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -2.699 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: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -39.725606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.725606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.725606 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.056 local terms energy: -25.248250 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -31.649925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.649925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.649925 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: 0.180 local terms energy: -23.077593 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.041 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: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -31.260336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.260336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.260336 (E_RNA) where: Base-Base interactions energy: -14.154 where: short stacking energy: -14.154 Base-Backbone interact. energy: -0.080 local terms energy: -17.025665 where: bonds (distance) C4'-P energy: -3.087 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -2.053 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -36.801664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.801664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.801664 (E_RNA) where: Base-Base interactions energy: -11.759 where: short stacking energy: -11.759 Base-Backbone interact. energy: -0.000 local terms energy: -25.042654 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -34.596789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.596789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.596789 (E_RNA) where: Base-Base interactions energy: -13.487 where: short stacking energy: -13.487 Base-Backbone interact. energy: -0.025 local terms energy: -21.085062 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.657 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: 7, replica: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -37.138278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.138278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.138278 (E_RNA) where: Base-Base interactions energy: -13.434 where: short stacking energy: -13.434 Base-Backbone interact. energy: 0.154 local terms energy: -23.858804 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -4.455 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: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -31.327729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.327729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.327729 (E_RNA) where: Base-Base interactions energy: -9.269 where: short stacking energy: -9.269 Base-Backbone interact. energy: -0.037 local terms energy: -22.022348 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -31.586798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.586798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.586798 (E_RNA) where: Base-Base interactions energy: -9.510 where: short stacking energy: -9.510 Base-Backbone interact. energy: -0.002 local terms energy: -22.075162 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -30.059165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059165 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.289 local terms energy: -19.713980 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -43.000495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.000495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.000495 (E_RNA) where: Base-Base interactions energy: -15.708 where: short stacking energy: -15.708 Base-Backbone interact. energy: -0.000 local terms energy: -27.292594 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -5.947 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: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -38.373108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.373108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.373108 (E_RNA) where: Base-Base interactions energy: -15.067 where: short stacking energy: -15.067 Base-Backbone interact. energy: -0.001 local terms energy: -23.305096 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -36.146837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.146837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.146837 (E_RNA) where: Base-Base interactions energy: -17.350 where: short stacking energy: -17.350 Base-Backbone interact. energy: -0.003 local terms energy: -18.794615 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -1.411 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -35.349376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.349376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.349376 (E_RNA) where: Base-Base interactions energy: -12.283 where: short stacking energy: -12.283 Base-Backbone interact. energy: -0.006 local terms energy: -23.059809 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -33.185983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.185983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.185983 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.001 local terms energy: -23.019670 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -3.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -35.279637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.279637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.279637 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.010 local terms energy: -22.183879 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -29.242267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.242267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.242267 (E_RNA) where: Base-Base interactions energy: -13.192 where: short stacking energy: -13.192 Base-Backbone interact. energy: -0.157 local terms energy: -15.893131 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -3.245 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -33.242645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.242645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.242645 (E_RNA) where: Base-Base interactions energy: -13.161 where: short stacking energy: -13.161 Base-Backbone interact. energy: -0.002 local terms energy: -20.079848 where: bonds (distance) C4'-P energy: -2.757 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.050 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: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -33.302780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.302780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.302780 (E_RNA) where: Base-Base interactions energy: -13.094 where: short stacking energy: -13.094 Base-Backbone interact. energy: -0.001 local terms energy: -20.207335 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -1.139 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: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -31.578701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.578701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.578701 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.000 local terms energy: -18.193357 where: bonds (distance) C4'-P energy: -3.166 bonds (distance) P-C4' energy: -4.141 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -2.021 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: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -39.008046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.008046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.008046 (E_RNA) where: Base-Base interactions energy: -13.735 where: short stacking energy: -13.735 Base-Backbone interact. energy: -0.000 local terms energy: -25.272962 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -4.373 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: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -36.007549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.007549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.007549 (E_RNA) where: Base-Base interactions energy: -9.895 where: short stacking energy: -9.895 Base-Backbone interact. energy: -0.000 local terms energy: -26.112605 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -34.239974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.239974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.239974 (E_RNA) where: Base-Base interactions energy: -13.125 where: short stacking energy: -13.125 Base-Backbone interact. energy: -0.018 local terms energy: -21.096897 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -3.271 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: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -37.916548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.916548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.916548 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.100 local terms energy: -25.137751 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -4.739 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: 5, replica: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -35.586233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.586233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.586233 (E_RNA) where: Base-Base interactions energy: -14.226 where: short stacking energy: -14.226 Base-Backbone interact. energy: -0.012 local terms energy: -21.348838 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -3.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -34.017535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.017535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.017535 (E_RNA) where: Base-Base interactions energy: -11.705 where: short stacking energy: -11.705 Base-Backbone interact. energy: -0.000 local terms energy: -22.312477 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -32.553420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.553420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.553420 (E_RNA) where: Base-Base interactions energy: -9.724 where: short stacking energy: -9.724 Base-Backbone interact. energy: -0.000 local terms energy: -22.829010 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -31.861655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.861655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.861655 (E_RNA) where: Base-Base interactions energy: -7.208 where: short stacking energy: -7.208 Base-Backbone interact. energy: -0.015 local terms energy: -24.638872 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -33.341590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.341590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.341590 (E_RNA) where: Base-Base interactions energy: -11.752 where: short stacking energy: -11.752 Base-Backbone interact. energy: -0.000 local terms energy: -21.589271 where: bonds (distance) C4'-P energy: -3.937 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.670 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -6.033 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: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -29.718301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.718301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.718301 (E_RNA) where: Base-Base interactions energy: -11.433 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.021 local terms energy: -18.265040 where: bonds (distance) C4'-P energy: -4.015 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -35.041615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.041615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.041615 (E_RNA) where: Base-Base interactions energy: -11.059 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.558 local terms energy: -23.424930 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -43.143778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.143778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.143778 (E_RNA) where: Base-Base interactions energy: -16.474 where: short stacking energy: -16.474 Base-Backbone interact. energy: -0.000 local terms energy: -26.669803 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -4.539 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: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -38.186076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.186076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.186076 (E_RNA) where: Base-Base interactions energy: -16.003 where: short stacking energy: -16.003 Base-Backbone interact. energy: -0.012 local terms energy: -22.171161 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.998 flat angles P-C4'-P energy: -4.805 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: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -38.777350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.777350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.777350 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.785 Base-Backbone interact. energy: -0.039 local terms energy: -25.953778 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -32.390959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.390959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.390959 (E_RNA) where: Base-Base interactions energy: -9.079 where: short stacking energy: -9.079 Base-Backbone interact. energy: -0.016 local terms energy: -23.295988 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -34.629406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.629406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.629406 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.109 local terms energy: -21.805114 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.208 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -35.285979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.285979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.285979 (E_RNA) where: Base-Base interactions energy: -14.066 where: short stacking energy: -14.066 Base-Backbone interact. energy: 0.351 local terms energy: -21.570449 where: bonds (distance) C4'-P energy: -2.698 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -33.433024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.433024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.433024 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.087 local terms energy: -21.531838 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.561 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: 9, replica: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -31.443384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.443384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.443384 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.095 local terms energy: -22.671844 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -0.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -25.727472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.727472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.727472 (E_RNA) where: Base-Base interactions energy: -3.043 where: short stacking energy: -3.043 Base-Backbone interact. energy: -0.000 local terms energy: -22.684283 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.680 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: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -37.881617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.881617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.881617 (E_RNA) where: Base-Base interactions energy: -12.875 where: short stacking energy: -12.875 Base-Backbone interact. energy: -0.010 local terms energy: -24.996469 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.718 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: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -38.582066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.582066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.582066 (E_RNA) where: Base-Base interactions energy: -18.039 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.017 local terms energy: -20.526323 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -37.760717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.760717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.760717 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: 0.054 local terms energy: -28.200222 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -4.894 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: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -36.112531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.112531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.112531 (E_RNA) where: Base-Base interactions energy: -12.181 where: short stacking energy: -12.181 Base-Backbone interact. energy: -0.084 local terms energy: -23.847435 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.964 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: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -38.880609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.880609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.880609 (E_RNA) where: Base-Base interactions energy: -13.248 where: short stacking energy: -13.248 Base-Backbone interact. energy: -0.000 local terms energy: -25.633033 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -4.354 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: 6, replica: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -34.724647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.724647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.724647 (E_RNA) where: Base-Base interactions energy: -10.800 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.000 local terms energy: -23.924500 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.812 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: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -39.345404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345404 (E_RNA) where: Base-Base interactions energy: -15.070 where: short stacking energy: -15.070 Base-Backbone interact. energy: -0.002 local terms energy: -24.272738 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -5.048 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: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -30.116112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116112 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.031 local terms energy: -19.271912 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -3.175 flat angles P-C4'-P energy: -3.727 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: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -32.718270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718270 (E_RNA) where: Base-Base interactions energy: -9.627 where: short stacking energy: -9.627 Base-Backbone interact. energy: -0.001 local terms energy: -23.089689 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.195 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: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -34.556517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.556517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.556517 (E_RNA) where: Base-Base interactions energy: -11.400 where: short stacking energy: -11.400 Base-Backbone interact. energy: -0.000 local terms energy: -23.156194 where: bonds (distance) C4'-P energy: -3.518 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.877 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: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -40.649288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.649288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.649288 (E_RNA) where: Base-Base interactions energy: -18.140 where: short stacking energy: -14.603 Base-Backbone interact. energy: -0.010 local terms energy: -22.499673 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -38.569815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.569815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.569815 (E_RNA) where: Base-Base interactions energy: -13.203 where: short stacking energy: -13.203 Base-Backbone interact. energy: -0.001 local terms energy: -25.365638 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -34.725845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.725845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.725845 (E_RNA) where: Base-Base interactions energy: -12.842 where: short stacking energy: -12.842 Base-Backbone interact. energy: -0.001 local terms energy: -21.883120 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -40.332221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.332221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.332221 (E_RNA) where: Base-Base interactions energy: -18.181 where: short stacking energy: -18.181 Base-Backbone interact. energy: -0.020 local terms energy: -22.131136 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -32.591367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.591367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.591367 (E_RNA) where: Base-Base interactions energy: -12.316 where: short stacking energy: -12.316 Base-Backbone interact. energy: 0.019 local terms energy: -20.294819 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -32.702742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.702742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.702742 (E_RNA) where: Base-Base interactions energy: -12.688 where: short stacking energy: -12.841 Base-Backbone interact. energy: 0.589 local terms energy: -20.603776 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.938 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: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -30.625717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.625717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.625717 (E_RNA) where: Base-Base interactions energy: -9.165 where: short stacking energy: -9.165 Base-Backbone interact. energy: -0.003 local terms energy: -21.457841 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.340 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: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -33.410889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410889 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.088 local terms energy: -23.421321 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.830 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: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -31.423089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.423089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.423089 (E_RNA) where: Base-Base interactions energy: -12.882 where: short stacking energy: -12.882 Base-Backbone interact. energy: -0.068 local terms energy: -18.473107 where: bonds (distance) C4'-P energy: -3.560 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -0.580 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: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -31.178189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.178189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.178189 (E_RNA) where: Base-Base interactions energy: -9.397 where: short stacking energy: -9.397 Base-Backbone interact. energy: -0.000 local terms energy: -21.780749 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.215 flat angles P-C4'-P energy: -4.663 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: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -39.744803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.744803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.744803 (E_RNA) where: Base-Base interactions energy: -13.070 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.095 local terms energy: -26.579723 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -36.711530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.711530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.711530 (E_RNA) where: Base-Base interactions energy: -15.360 where: short stacking energy: -15.360 Base-Backbone interact. energy: -0.001 local terms energy: -21.350917 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -40.666617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.666617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.666617 (E_RNA) where: Base-Base interactions energy: -17.976 where: short stacking energy: -17.976 Base-Backbone interact. energy: -0.001 local terms energy: -22.689287 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -4.304 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: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -37.296914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.296914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.296914 (E_RNA) where: Base-Base interactions energy: -14.181 where: short stacking energy: -14.201 Base-Backbone interact. energy: -1.090 local terms energy: -22.025615 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -31.214021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.214021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.214021 (E_RNA) where: Base-Base interactions energy: -12.882 where: short stacking energy: -12.882 Base-Backbone interact. energy: -0.000 local terms energy: -18.331770 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -1.619 flat angles P-C4'-P energy: -0.566 tors. eta vs tors. theta energy: -3.426 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: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -32.274635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.274635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.274635 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.008 local terms energy: -21.018045 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -34.206636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.206636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.206636 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.020 local terms energy: -21.190974 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -4.356 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -35.040016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.040016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.040016 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.001 local terms energy: -20.283789 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -0.288 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: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -31.181715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.181715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.181715 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.000 local terms energy: -19.871316 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -3.082 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: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -31.923766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.923766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.923766 (E_RNA) where: Base-Base interactions energy: -9.957 where: short stacking energy: -9.957 Base-Backbone interact. energy: -1.203 local terms energy: -20.764037 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -3.930 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: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -36.103778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.103778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.103778 (E_RNA) where: Base-Base interactions energy: -14.165 where: short stacking energy: -14.165 Base-Backbone interact. energy: -0.000 local terms energy: -21.938231 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -2.283 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -41.226871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.226871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.226871 (E_RNA) where: Base-Base interactions energy: -15.146 where: short stacking energy: -15.146 Base-Backbone interact. energy: -0.000 local terms energy: -26.080558 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.860 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: 3, replica: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -32.733144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.733144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.733144 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.014 local terms energy: -21.719888 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -35.888076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.888076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.888076 (E_RNA) where: Base-Base interactions energy: -17.686 where: short stacking energy: -17.686 Base-Backbone interact. energy: -0.025 local terms energy: -18.177099 where: bonds (distance) C4'-P energy: -2.260 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -1.921 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -39.033296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.033296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.033296 (E_RNA) where: Base-Base interactions energy: -12.448 where: short stacking energy: -12.448 Base-Backbone interact. energy: -0.000 local terms energy: -26.585196 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -2.838 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: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -29.490711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.490711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.490711 (E_RNA) where: Base-Base interactions energy: -11.547 where: short stacking energy: -11.547 Base-Backbone interact. energy: -0.005 local terms energy: -17.938454 where: bonds (distance) C4'-P energy: -2.951 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -2.987 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: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -31.929304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.929304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.929304 (E_RNA) where: Base-Base interactions energy: -10.184 where: short stacking energy: -10.184 Base-Backbone interact. energy: -0.008 local terms energy: -21.737455 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.352 flat angles P-C4'-P energy: -4.587 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: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -32.490391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.490391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.490391 (E_RNA) where: Base-Base interactions energy: -12.917 where: short stacking energy: -12.917 Base-Backbone interact. energy: -0.000 local terms energy: -19.572891 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -1.630 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -32.669139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.669139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.669139 (E_RNA) where: Base-Base interactions energy: -9.900 where: short stacking energy: -9.900 Base-Backbone interact. energy: -0.000 local terms energy: -22.769381 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -2.988 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.459 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: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -33.133881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.133881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.133881 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.000 local terms energy: -23.661989 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.176 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: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -38.802295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.802295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.802295 (E_RNA) where: Base-Base interactions energy: -13.377 where: short stacking energy: -13.377 Base-Backbone interact. energy: -0.001 local terms energy: -25.424278 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -4.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -37.610437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.610437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.610437 (E_RNA) where: Base-Base interactions energy: -14.754 where: short stacking energy: -14.754 Base-Backbone interact. energy: -0.000 local terms energy: -22.856316 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -1.007 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -40.180020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.180020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.180020 (E_RNA) where: Base-Base interactions energy: -16.023 where: short stacking energy: -16.023 Base-Backbone interact. energy: -0.000 local terms energy: -24.156856 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -2.407 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: 217 Temperature: 1.050000 Total energy: -34.727108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.727108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.727108 (E_RNA) where: Base-Base interactions energy: -10.376 where: short stacking energy: -10.376 Base-Backbone interact. energy: -0.000 local terms energy: -24.350649 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -37.441071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.441071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.441071 (E_RNA) where: Base-Base interactions energy: -17.436 where: short stacking energy: -17.436 Base-Backbone interact. energy: -0.122 local terms energy: -19.882867 where: bonds (distance) C4'-P energy: -0.873 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -35.097528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.097528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.097528 (E_RNA) where: Base-Base interactions energy: -12.343 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.002 local terms energy: -22.752665 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -30.980311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.980311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.980311 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -7.818 Base-Backbone interact. energy: -0.000 local terms energy: -23.162405 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -0.881 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: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -31.768351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.768351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.768351 (E_RNA) where: Base-Base interactions energy: -11.548 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.025 local terms energy: -20.195001 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -5.165 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.694 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: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -32.923430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.923430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.923430 (E_RNA) where: Base-Base interactions energy: -12.123 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.059 local terms energy: -20.741967 where: bonds (distance) C4'-P energy: -1.871 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -33.154073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.154073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.154073 (E_RNA) where: Base-Base interactions energy: -10.895 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.000 local terms energy: -22.259005 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -4.902 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: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -39.052635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.052635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.052635 (E_RNA) where: Base-Base interactions energy: -14.578 where: short stacking energy: -14.578 Base-Backbone interact. energy: -0.003 local terms energy: -24.471628 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -41.765135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.765135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.765135 (E_RNA) where: Base-Base interactions energy: -17.233 where: short stacking energy: -17.233 Base-Backbone interact. energy: -0.003 local terms energy: -24.529068 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -32.100774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.100774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.100774 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.093 local terms energy: -23.983630 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -4.950 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: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -38.142289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.142289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.142289 (E_RNA) where: Base-Base interactions energy: -16.211 where: short stacking energy: -16.211 Base-Backbone interact. energy: -0.001 local terms energy: -21.930948 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -35.118834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.118834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.118834 (E_RNA) where: Base-Base interactions energy: -12.350 where: short stacking energy: -12.350 Base-Backbone interact. energy: -0.008 local terms energy: -22.760849 where: bonds (distance) C4'-P energy: -3.325 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -5.041 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: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -36.587362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.587362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.587362 (E_RNA) where: Base-Base interactions energy: -13.124 where: short stacking energy: -13.124 Base-Backbone interact. energy: -0.000 local terms energy: -23.463000 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -4.523 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -37.898069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.898069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.898069 (E_RNA) where: Base-Base interactions energy: -12.752 where: short stacking energy: -12.752 Base-Backbone interact. energy: -0.000 local terms energy: -25.146296 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -4.396 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: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -29.347957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.347957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.347957 (E_RNA) where: Base-Base interactions energy: -9.174 where: short stacking energy: -10.359 Base-Backbone interact. energy: -1.434 local terms energy: -18.739207 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -1.768 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: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -32.454949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.454949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.454949 (E_RNA) where: Base-Base interactions energy: -9.994 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.003 local terms energy: -22.457576 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -35.397164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.397164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.397164 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.000 local terms energy: -23.612647 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -1.184 tors. eta vs tors. theta energy: -5.435 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: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -40.171902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.171902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.171902 (E_RNA) where: Base-Base interactions energy: -17.464 where: short stacking energy: -17.464 Base-Backbone interact. energy: -0.002 local terms energy: -22.706471 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -2.893 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: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -36.520653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.520653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.520653 (E_RNA) where: Base-Base interactions energy: -13.903 where: short stacking energy: -13.903 Base-Backbone interact. energy: -0.002 local terms energy: -22.615681 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -37.514417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.514417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.514417 (E_RNA) where: Base-Base interactions energy: -13.796 where: short stacking energy: -13.796 Base-Backbone interact. energy: -0.406 local terms energy: -23.312477 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -35.869203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.869203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.869203 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.000 local terms energy: -25.410636 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -37.361509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.361509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.361509 (E_RNA) where: Base-Base interactions energy: -12.330 where: short stacking energy: -12.330 Base-Backbone interact. energy: -0.000 local terms energy: -25.031030 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.626 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: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -29.167034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.167034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.167034 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.184 local terms energy: -20.098721 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -2.223 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: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -28.516530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.516530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.516530 (E_RNA) where: Base-Base interactions energy: -9.209 where: short stacking energy: -9.209 Base-Backbone interact. energy: -0.018 local terms energy: -19.289530 where: bonds (distance) C4'-P energy: -3.333 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -31.180819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.180819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.180819 (E_RNA) where: Base-Base interactions energy: -7.846 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.000 local terms energy: -23.335264 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -26.079289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.079289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.079289 (E_RNA) where: Base-Base interactions energy: -5.682 where: short stacking energy: -5.682 Base-Backbone interact. energy: -0.001 local terms energy: -20.396273 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -4.177 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: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -32.994685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.994685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.994685 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.000 local terms energy: -22.919655 where: bonds (distance) C4'-P energy: -3.701 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -39.881850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.881850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.881850 (E_RNA) where: Base-Base interactions energy: -17.869 where: short stacking energy: -17.869 Base-Backbone interact. energy: -0.012 local terms energy: -22.000747 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.598 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: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -36.399605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.399605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.399605 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.000 local terms energy: -23.098479 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -37.723710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.723710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.723710 (E_RNA) where: Base-Base interactions energy: -14.256 where: short stacking energy: -14.256 Base-Backbone interact. energy: -0.085 local terms energy: -23.383175 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.688 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: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -35.566238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.566238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.566238 (E_RNA) where: Base-Base interactions energy: -12.690 where: short stacking energy: -12.690 Base-Backbone interact. energy: 0.145 local terms energy: -23.022219 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 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: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.025 local terms energy: -22.975983 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.725 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: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -32.632352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.632352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.632352 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.000 local terms energy: -20.196126 where: bonds (distance) C4'-P energy: -3.207 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -3.691 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: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -36.921656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.921656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.921656 (E_RNA) where: Base-Base interactions energy: -12.814 where: short stacking energy: -12.814 Base-Backbone interact. energy: -0.000 local terms energy: -24.107764 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -3.334 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: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -34.282015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.282015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.282015 (E_RNA) where: Base-Base interactions energy: -6.755 where: short stacking energy: -6.755 Base-Backbone interact. energy: -0.000 local terms energy: -27.527169 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -4.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -31.290254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.290254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.290254 (E_RNA) where: Base-Base interactions energy: -10.740 where: short stacking energy: -10.740 Base-Backbone interact. energy: -0.080 local terms energy: -20.470414 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.482 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -29.378289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.378289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.378289 (E_RNA) where: Base-Base interactions energy: -8.621 where: short stacking energy: -8.621 Base-Backbone interact. energy: -0.925 local terms energy: -19.832916 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -3.709 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: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -37.563520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.563520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.563520 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -25.963558 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -38.756789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.756789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.756789 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.044 local terms energy: -22.923769 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -5.478 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: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -36.449787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449787 (E_RNA) where: Base-Base interactions energy: -13.557 where: short stacking energy: -13.557 Base-Backbone interact. energy: -0.002 local terms energy: -22.890624 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -4.307 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: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -33.663775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.663775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.663775 (E_RNA) where: Base-Base interactions energy: -11.830 where: short stacking energy: -11.830 Base-Backbone interact. energy: -0.016 local terms energy: -21.817190 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -4.765 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: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -35.510772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.510772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.510772 (E_RNA) where: Base-Base interactions energy: -12.043 where: short stacking energy: -12.043 Base-Backbone interact. energy: -0.001 local terms energy: -23.467035 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 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: -11.241 where: short stacking energy: -11.241 Base-Backbone interact. energy: -0.000 local terms energy: -23.399702 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -4.014 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: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -29.218114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.218114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.218114 (E_RNA) where: Base-Base interactions energy: -9.983 where: short stacking energy: -9.983 Base-Backbone interact. energy: -0.067 local terms energy: -19.168567 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -31.865632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.865632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.865632 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -21.480720 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -4.833 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: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -33.560058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.560058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.560058 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.001 local terms energy: -23.028535 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.901 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: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -29.809556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.809556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.809556 (E_RNA) where: Base-Base interactions energy: -10.782 where: short stacking energy: -10.917 Base-Backbone interact. energy: -0.019 local terms energy: -19.009011 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -2.396 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: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -37.588573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.588573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.588573 (E_RNA) where: Base-Base interactions energy: -13.405 where: short stacking energy: -13.405 Base-Backbone interact. energy: -0.000 local terms energy: -24.182834 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.958 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: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -38.961657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.961657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.961657 (E_RNA) where: Base-Base interactions energy: -13.973 where: short stacking energy: -13.973 Base-Backbone interact. energy: -0.084 local terms energy: -24.905095 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -37.964601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.964601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.964601 (E_RNA) where: Base-Base interactions energy: -12.918 where: short stacking energy: -12.918 Base-Backbone interact. energy: -0.000 local terms energy: -25.046111 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -39.586181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.586181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.586181 (E_RNA) where: Base-Base interactions energy: -13.511 where: short stacking energy: -13.511 Base-Backbone interact. energy: -0.000 local terms energy: -26.075521 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -33.153215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.153215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.153215 (E_RNA) where: Base-Base interactions energy: -9.467 where: short stacking energy: -9.467 Base-Backbone interact. energy: -0.097 local terms energy: -23.589622 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -30.337810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.337810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.337810 (E_RNA) where: Base-Base interactions energy: -13.153 where: short stacking energy: -13.153 Base-Backbone interact. energy: -0.000 local terms energy: -17.184322 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -28.781461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.781461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.781461 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -7.284 Base-Backbone interact. energy: -0.000 local terms energy: -21.497689 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -3.295 flat angles P-C4'-P energy: -4.578 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: 8, replica: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -39.000805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.000805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.000805 (E_RNA) where: Base-Base interactions energy: -12.698 where: short stacking energy: -12.698 Base-Backbone interact. energy: -0.000 local terms energy: -26.303143 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -32.552439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.552439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.552439 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.001 local terms energy: -20.738295 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -3.808 flat angles P-C4'-P energy: -2.826 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: 10, replica: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -27.028294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.028294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.028294 (E_RNA) where: Base-Base interactions energy: -11.108 where: short stacking energy: -11.108 Base-Backbone interact. energy: -0.032 local terms energy: -15.887595 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -36.124503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.124503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.124503 (E_RNA) where: Base-Base interactions energy: -13.273 where: short stacking energy: -13.273 Base-Backbone interact. energy: -0.000 local terms energy: -22.851036 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -37.554683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.554683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.554683 (E_RNA) where: Base-Base interactions energy: -12.979 where: short stacking energy: -12.979 Base-Backbone interact. energy: -0.000 local terms energy: -24.575781 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.233 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: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -33.673646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.673646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.673646 (E_RNA) where: Base-Base interactions energy: -15.740 where: short stacking energy: -15.604 Base-Backbone interact. energy: 0.046 local terms energy: -17.980218 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.704 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: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -33.180433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.180433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.180433 (E_RNA) where: Base-Base interactions energy: -9.828 where: short stacking energy: -9.828 Base-Backbone interact. energy: -0.022 local terms energy: -23.330108 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -37.055766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.055766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.055766 (E_RNA) where: Base-Base interactions energy: -12.803 where: short stacking energy: -12.803 Base-Backbone interact. energy: -0.003 local terms energy: -24.249428 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -29.207108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.207108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.207108 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.181 local terms energy: -20.663617 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -36.177523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.177523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.177523 (E_RNA) where: Base-Base interactions energy: -13.172 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.000 local terms energy: -23.005540 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -2.566 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: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -32.399353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.399353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.399353 (E_RNA) where: Base-Base interactions energy: -10.759 where: short stacking energy: -10.759 Base-Backbone interact. energy: -0.000 local terms energy: -21.639876 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -28.931132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.931132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.931132 (E_RNA) where: Base-Base interactions energy: -5.514 where: short stacking energy: -5.514 Base-Backbone interact. energy: -0.003 local terms energy: -23.414239 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -5.072 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: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -29.238213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.238213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.238213 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.073 local terms energy: -15.867319 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -1.614 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -41.882250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.882250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.882250 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.089 local terms energy: -28.265053 where: bonds (distance) C4'-P energy: -5.675 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -37.965418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.965418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.965418 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: -0.000 local terms energy: -26.522399 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -3.671 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: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -34.903210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.903210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.903210 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -11.014 Base-Backbone interact. energy: 0.152 local terms energy: -24.042068 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -5.089 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: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -35.594149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.594149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.594149 (E_RNA) where: Base-Base interactions energy: -11.494 where: short stacking energy: -11.494 Base-Backbone interact. energy: -0.000 local terms energy: -24.099692 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -27.440198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.440198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.440198 (E_RNA) where: Base-Base interactions energy: -5.096 where: short stacking energy: -5.096 Base-Backbone interact. energy: -0.000 local terms energy: -22.343817 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.460 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: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -37.362916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.362916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.362916 (E_RNA) where: Base-Base interactions energy: -13.430 where: short stacking energy: -13.430 Base-Backbone interact. energy: -0.014 local terms energy: -23.918676 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -33.220082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.220082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.220082 (E_RNA) where: Base-Base interactions energy: -13.717 where: short stacking energy: -13.717 Base-Backbone interact. energy: -0.002 local terms energy: -19.500771 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -0.837 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -31.190546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190546 (E_RNA) where: Base-Base interactions energy: -10.938 where: short stacking energy: -10.938 Base-Backbone interact. energy: -0.026 local terms energy: -20.226266 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -29.520622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.520622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.520622 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.168 local terms energy: -21.211882 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -29.332109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.332109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.332109 (E_RNA) where: Base-Base interactions energy: -9.398 where: short stacking energy: -9.398 Base-Backbone interact. energy: -0.012 local terms energy: -19.922063 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -40.477104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.477104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.477104 (E_RNA) where: Base-Base interactions energy: -15.460 where: short stacking energy: -15.460 Base-Backbone interact. energy: -0.000 local terms energy: -25.017384 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -40.662498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.662498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.662498 (E_RNA) where: Base-Base interactions energy: -12.913 where: short stacking energy: -12.913 Base-Backbone interact. energy: 0.938 local terms energy: -28.687420 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -33.649996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.649996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.649996 (E_RNA) where: Base-Base interactions energy: -10.616 where: short stacking energy: -10.616 Base-Backbone interact. energy: -0.021 local terms energy: -23.012934 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -37.808688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.808688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.808688 (E_RNA) where: Base-Base interactions energy: -12.556 where: short stacking energy: -12.556 Base-Backbone interact. energy: -0.000 local terms energy: -25.252559 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -4.075 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: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -33.901061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.901061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.901061 (E_RNA) where: Base-Base interactions energy: -14.747 where: short stacking energy: -14.747 Base-Backbone interact. energy: -0.017 local terms energy: -19.137476 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -33.578881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.578881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.578881 (E_RNA) where: Base-Base interactions energy: -12.833 where: short stacking energy: -12.833 Base-Backbone interact. energy: -0.000 local terms energy: -20.745780 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -31.467044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.467044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.467044 (E_RNA) where: Base-Base interactions energy: -11.123 where: short stacking energy: -11.123 Base-Backbone interact. energy: -0.509 local terms energy: -19.835413 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -32.780463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.780463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.780463 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: -0.000 local terms energy: -22.375331 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -26.659831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.659831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.659831 (E_RNA) where: Base-Base interactions energy: -8.217 where: short stacking energy: -8.217 Base-Backbone interact. energy: -0.000 local terms energy: -18.442689 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -0.594 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: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -31.736859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.736859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.736859 (E_RNA) where: Base-Base interactions energy: -15.026 where: short stacking energy: -15.026 Base-Backbone interact. energy: -0.000 local terms energy: -16.710944 where: bonds (distance) C4'-P energy: -3.079 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -40.304745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.304745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.304745 (E_RNA) where: Base-Base interactions energy: -13.631 where: short stacking energy: -13.631 Base-Backbone interact. energy: -0.000 local terms energy: -26.673075 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -38.750107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.750107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.750107 (E_RNA) where: Base-Base interactions energy: -12.965 where: short stacking energy: -12.965 Base-Backbone interact. energy: -0.006 local terms energy: -25.778859 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -35.229772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.229772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.229772 (E_RNA) where: Base-Base interactions energy: -13.161 where: short stacking energy: -13.161 Base-Backbone interact. energy: -0.002 local terms energy: -22.066900 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -4.313 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: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -33.099163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.099163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.099163 (E_RNA) where: Base-Base interactions energy: -12.877 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.034 local terms energy: -20.188109 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -36.232617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.232617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.232617 (E_RNA) where: Base-Base interactions energy: -12.487 where: short stacking energy: -12.487 Base-Backbone interact. energy: -0.000 local terms energy: -23.745852 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -31.405308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405308 (E_RNA) where: Base-Base interactions energy: -12.114 where: short stacking energy: -12.114 Base-Backbone interact. energy: -0.100 local terms energy: -19.190474 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.267 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -3.633 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: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -32.619826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.619826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.619826 (E_RNA) where: Base-Base interactions energy: -8.386 where: short stacking energy: -8.386 Base-Backbone interact. energy: -0.001 local terms energy: -24.233607 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -29.420262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.420262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.420262 (E_RNA) where: Base-Base interactions energy: -12.774 where: short stacking energy: -12.774 Base-Backbone interact. energy: -0.001 local terms energy: -16.645310 where: bonds (distance) C4'-P energy: -1.950 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -1.217 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: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -29.075975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.075975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.075975 (E_RNA) where: Base-Base interactions energy: -10.486 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.000 local terms energy: -18.590048 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: 0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -32.658053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.658053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.658053 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.001 local terms energy: -22.622836 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -3.863 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: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -41.972833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.972833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.972833 (E_RNA) where: Base-Base interactions energy: -16.477 where: short stacking energy: -16.477 Base-Backbone interact. energy: -0.001 local terms energy: -25.494515 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -5.416 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: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -36.195435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.195435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.195435 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.043 local terms energy: -22.435123 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.459 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: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -36.909676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.909676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.909676 (E_RNA) where: Base-Base interactions energy: -12.290 where: short stacking energy: -12.290 Base-Backbone interact. energy: -0.001 local terms energy: -24.618691 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -35.970973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.970973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.970973 (E_RNA) where: Base-Base interactions energy: -12.940 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.011 local terms energy: -23.020773 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -33.666479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.666479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.666479 (E_RNA) where: Base-Base interactions energy: -10.779 where: short stacking energy: -10.779 Base-Backbone interact. energy: -0.000 local terms energy: -22.887245 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.149 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: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -36.989721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.989721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.989721 (E_RNA) where: Base-Base interactions energy: -13.947 where: short stacking energy: -13.947 Base-Backbone interact. energy: -0.001 local terms energy: -23.042378 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -35.877319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.877319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.877319 (E_RNA) where: Base-Base interactions energy: -13.155 where: short stacking energy: -13.155 Base-Backbone interact. energy: -0.009 local terms energy: -22.713312 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -32.161947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.161947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.161947 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.006 local terms energy: -20.286607 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -4.253 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: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -32.444565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.444565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.444565 (E_RNA) where: Base-Base interactions energy: -10.771 where: short stacking energy: -10.771 Base-Backbone interact. energy: -0.088 local terms energy: -21.585608 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -30.400019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.400019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.400019 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.001 local terms energy: -17.190239 where: bonds (distance) C4'-P energy: -2.355 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -2.564 flat angles P-C4'-P energy: -3.637 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: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -39.809260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.809260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.809260 (E_RNA) where: Base-Base interactions energy: -14.853 where: short stacking energy: -14.853 Base-Backbone interact. energy: -0.000 local terms energy: -24.955875 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -2.954 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: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -41.325133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.325133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.325133 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -16.926 Base-Backbone interact. energy: -0.013 local terms energy: -24.386177 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -4.750 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: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -34.202483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.202483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.202483 (E_RNA) where: Base-Base interactions energy: -13.272 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.019 local terms energy: -20.910965 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -3.987 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: 4, replica: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -38.490269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.490269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.490269 (E_RNA) where: Base-Base interactions energy: -12.475 where: short stacking energy: -12.475 Base-Backbone interact. energy: -0.005 local terms energy: -26.009809 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -35.972754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.972754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.972754 (E_RNA) where: Base-Base interactions energy: -12.970 where: short stacking energy: -12.970 Base-Backbone interact. energy: -0.036 local terms energy: -22.967395 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -40.306602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.306602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.306602 (E_RNA) where: Base-Base interactions energy: -14.586 where: short stacking energy: -14.586 Base-Backbone interact. energy: -0.000 local terms energy: -25.720378 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -6.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -32.544204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.544204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.544204 (E_RNA) where: Base-Base interactions energy: -10.126 where: short stacking energy: -10.126 Base-Backbone interact. energy: -0.000 local terms energy: -22.418061 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.856 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: 8, replica: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -33.874366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.874366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.874366 (E_RNA) where: Base-Base interactions energy: -8.608 where: short stacking energy: -9.694 Base-Backbone interact. energy: -0.087 local terms energy: -25.179074 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -3.992 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: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -32.285935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.285935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.285935 (E_RNA) where: Base-Base interactions energy: -9.020 where: short stacking energy: -9.020 Base-Backbone interact. energy: -0.000 local terms energy: -23.266264 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -25.508218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.508218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.508218 (E_RNA) where: Base-Base interactions energy: -3.960 where: short stacking energy: -3.960 Base-Backbone interact. energy: -0.013 local terms energy: -21.535092 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.719 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: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -40.797147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.797147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.797147 (E_RNA) where: Base-Base interactions energy: -17.207 where: short stacking energy: -17.207 Base-Backbone interact. energy: -0.020 local terms energy: -23.570670 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -3.414 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: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -39.421532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.421532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.421532 (E_RNA) where: Base-Base interactions energy: -15.828 where: short stacking energy: -15.828 Base-Backbone interact. energy: -0.204 local terms energy: -23.389195 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -38.891731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.891731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.891731 (E_RNA) where: Base-Base interactions energy: -13.430 where: short stacking energy: -13.430 Base-Backbone interact. energy: -0.000 local terms energy: -25.462013 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -2.860 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: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -35.612291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.612291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.612291 (E_RNA) where: Base-Base interactions energy: -13.358 where: short stacking energy: -13.358 Base-Backbone interact. energy: -0.000 local terms energy: -22.254046 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -33.695072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.695072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.695072 (E_RNA) where: Base-Base interactions energy: -8.610 where: short stacking energy: -8.810 Base-Backbone interact. energy: -0.000 local terms energy: -25.085467 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -35.854535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.854535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.854535 (E_RNA) where: Base-Base interactions energy: -15.506 where: short stacking energy: -15.506 Base-Backbone interact. energy: -0.003 local terms energy: -20.345293 where: bonds (distance) C4'-P energy: -2.973 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -33.677074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.677074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.677074 (E_RNA) where: Base-Base interactions energy: -13.429 where: short stacking energy: -13.429 Base-Backbone interact. energy: -0.003 local terms energy: -20.245508 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.163 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -31.849101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.849101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.849101 (E_RNA) where: Base-Base interactions energy: -9.359 where: short stacking energy: -9.359 Base-Backbone interact. energy: -0.000 local terms energy: -22.489321 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -32.568281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.568281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.568281 (E_RNA) where: Base-Base interactions energy: -10.483 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.036 local terms energy: -22.048743 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -30.328030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.328030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.328030 (E_RNA) where: Base-Base interactions energy: -9.290 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.004 local terms energy: -21.033683 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -39.246920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.246920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.246920 (E_RNA) where: Base-Base interactions energy: -15.379 where: short stacking energy: -15.379 Base-Backbone interact. energy: -0.000 local terms energy: -23.868127 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -5.001 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: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -33.346889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.346889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.346889 (E_RNA) where: Base-Base interactions energy: -12.900 where: short stacking energy: -12.900 Base-Backbone interact. energy: -0.001 local terms energy: -20.445350 where: bonds (distance) C4'-P energy: -2.500 bonds (distance) P-C4' energy: -3.156 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -35.897955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.897955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.897955 (E_RNA) where: Base-Base interactions energy: -13.847 where: short stacking energy: -13.847 Base-Backbone interact. energy: -0.001 local terms energy: -22.049509 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -2.658 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: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -37.033281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.033281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.033281 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.000 local terms energy: -22.808297 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -38.093764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.093764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.093764 (E_RNA) where: Base-Base interactions energy: -15.486 where: short stacking energy: -15.486 Base-Backbone interact. energy: -0.003 local terms energy: -22.604684 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -31.472151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.472151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.472151 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.000 local terms energy: -23.746917 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -31.918095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.918095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.918095 (E_RNA) where: Base-Base interactions energy: -9.401 where: short stacking energy: -9.401 Base-Backbone interact. energy: -0.042 local terms energy: -22.474875 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -5.154 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: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -28.507206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.507206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.507206 (E_RNA) where: Base-Base interactions energy: -9.014 where: short stacking energy: -9.014 Base-Backbone interact. energy: -0.001 local terms energy: -19.492332 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -28.077800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.077800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.077800 (E_RNA) where: Base-Base interactions energy: -7.166 where: short stacking energy: -7.166 Base-Backbone interact. energy: -0.131 local terms energy: -20.780153 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -27.128389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.128389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.128389 (E_RNA) where: Base-Base interactions energy: -5.663 where: short stacking energy: -5.663 Base-Backbone interact. energy: -0.000 local terms energy: -21.465044 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: 0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -37.904144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.904144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.904144 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -12.452 Base-Backbone interact. energy: -0.024 local terms energy: -25.427892 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -4.277 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: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -42.451469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.451469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.451469 (E_RNA) where: Base-Base interactions energy: -16.935 where: short stacking energy: -16.935 Base-Backbone interact. energy: -0.001 local terms energy: -25.515786 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -32.504496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.504496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.504496 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.560 local terms energy: -23.240128 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -34.839597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.839597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.839597 (E_RNA) where: Base-Base interactions energy: -12.342 where: short stacking energy: -12.342 Base-Backbone interact. energy: -0.000 local terms energy: -22.497081 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -37.801555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.801555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.801555 (E_RNA) where: Base-Base interactions energy: -12.573 where: short stacking energy: -12.573 Base-Backbone interact. energy: -0.018 local terms energy: -25.210809 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -28.810092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.810092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.810092 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.059 local terms energy: -20.399249 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -0.968 flat angles P-C4'-P energy: -5.422 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: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -35.312024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.312024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.312024 (E_RNA) where: Base-Base interactions energy: -12.507 where: short stacking energy: -12.507 Base-Backbone interact. energy: -0.013 local terms energy: -22.792411 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -2.161 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -33.008970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.008970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.008970 (E_RNA) where: Base-Base interactions energy: -6.977 where: short stacking energy: -6.977 Base-Backbone interact. energy: -0.001 local terms energy: -26.030971 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.704 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: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -26.293205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.293205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.293205 (E_RNA) where: Base-Base interactions energy: -8.034 where: short stacking energy: -6.462 Base-Backbone interact. energy: -0.058 local terms energy: -18.201782 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -1.858 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -29.232847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.232847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.232847 (E_RNA) where: Base-Base interactions energy: -8.813 where: short stacking energy: -8.813 Base-Backbone interact. energy: -0.048 local terms energy: -20.372190 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.304 flat angles P-C4'-P energy: -2.999 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: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -42.399192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.399192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.399192 (E_RNA) where: Base-Base interactions energy: -16.214 where: short stacking energy: -16.214 Base-Backbone interact. energy: -0.000 local terms energy: -26.185321 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -3.434 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: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -33.918958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.918958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.918958 (E_RNA) where: Base-Base interactions energy: -9.828 where: short stacking energy: -9.828 Base-Backbone interact. energy: -0.001 local terms energy: -24.090002 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -38.909174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.909174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.909174 (E_RNA) where: Base-Base interactions energy: -16.680 where: short stacking energy: -16.680 Base-Backbone interact. energy: -0.001 local terms energy: -22.228001 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.233 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -39.323118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.323118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.323118 (E_RNA) where: Base-Base interactions energy: -15.004 where: short stacking energy: -15.004 Base-Backbone interact. energy: -0.001 local terms energy: -24.317478 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.605 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: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -36.494561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.494561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.494561 (E_RNA) where: Base-Base interactions energy: -12.107 where: short stacking energy: -12.107 Base-Backbone interact. energy: -0.003 local terms energy: -24.384400 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.290 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: 6, replica: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -38.428296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.428296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.428296 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.001 local terms energy: -24.236850 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -3.990 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: 232 Temperature: 1.200000 Total energy: -34.935136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.935136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.935136 (E_RNA) where: Base-Base interactions energy: -8.466 where: short stacking energy: -8.466 Base-Backbone interact. energy: -0.000 local terms energy: -26.468656 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -30.530509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.530509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.530509 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.000 local terms energy: -20.216214 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.480 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -34.231700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231700 (E_RNA) where: Base-Base interactions energy: -11.021 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.000 local terms energy: -23.210721 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -3.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -26.469564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.469564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.469564 (E_RNA) where: Base-Base interactions energy: -7.230 where: short stacking energy: -7.230 Base-Backbone interact. energy: -0.067 local terms energy: -19.171705 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: 1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -40.713975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.713975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.713975 (E_RNA) where: Base-Base interactions energy: -14.067 where: short stacking energy: -14.067 Base-Backbone interact. energy: -0.040 local terms energy: -26.606863 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -3.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -39.939790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.939790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.939790 (E_RNA) where: Base-Base interactions energy: -14.746 where: short stacking energy: -14.746 Base-Backbone interact. energy: -0.000 local terms energy: -25.193463 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -38.210012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.210012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.210012 (E_RNA) where: Base-Base interactions energy: -13.590 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.000 local terms energy: -24.619562 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -35.457067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.457067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.457067 (E_RNA) where: Base-Base interactions energy: -10.559 where: short stacking energy: -10.559 Base-Backbone interact. energy: -0.000 local terms energy: -24.898222 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -36.456682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456682 (E_RNA) where: Base-Base interactions energy: -13.393 where: short stacking energy: -13.393 Base-Backbone interact. energy: -0.000 local terms energy: -23.064066 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -4.595 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: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -35.962265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.962265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.962265 (E_RNA) where: Base-Base interactions energy: -13.090 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.000 local terms energy: -22.871950 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.375 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: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -31.312891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.312891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.312891 (E_RNA) where: Base-Base interactions energy: -5.912 where: short stacking energy: -5.912 Base-Backbone interact. energy: -0.004 local terms energy: -25.397182 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -33.381075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.381075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.381075 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.094 local terms energy: -21.577863 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -31.495390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.495390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.495390 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.469 Base-Backbone interact. energy: -0.097 local terms energy: -22.928990 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -32.941544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.941544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.941544 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.018 local terms energy: -21.627369 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -44.194640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.194640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.194640 (E_RNA) where: Base-Base interactions energy: -15.941 where: short stacking energy: -15.941 Base-Backbone interact. energy: -0.001 local terms energy: -28.253048 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -5.420 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: 234 Temperature: 0.950000 Total energy: -33.725634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.725634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.725634 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.100 local terms energy: -20.154668 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -43.885031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.885031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.885031 (E_RNA) where: Base-Base interactions energy: -16.592 where: short stacking energy: -16.592 Base-Backbone interact. energy: -0.000 local terms energy: -27.292800 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -33.689506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.689506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.689506 (E_RNA) where: Base-Base interactions energy: -9.604 where: short stacking energy: -9.604 Base-Backbone interact. energy: -0.000 local terms energy: -24.085319 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.238 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: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -35.887279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.887279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.887279 (E_RNA) where: Base-Base interactions energy: -13.735 where: short stacking energy: -13.735 Base-Backbone interact. energy: -0.004 local terms energy: -22.148738 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -37.089082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.089082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.089082 (E_RNA) where: Base-Base interactions energy: -12.357 where: short stacking energy: -12.357 Base-Backbone interact. energy: -0.001 local terms energy: -24.731885 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -2.954 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: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -32.148126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.148126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.148126 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.065 local terms energy: -22.029964 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -4.329 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: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -32.721231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.721231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.721231 (E_RNA) where: Base-Base interactions energy: -14.408 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.060 local terms energy: -18.253568 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -3.227 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -3.054 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: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -26.946027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.946027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.946027 (E_RNA) where: Base-Base interactions energy: -8.374 where: short stacking energy: -8.374 Base-Backbone interact. energy: -0.003 local terms energy: -18.569186 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -1.358 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -33.059258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.059258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.059258 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -12.659 Base-Backbone interact. energy: -0.006 local terms energy: -20.394998 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -1.273 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -46.282748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.282748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.282748 (E_RNA) where: Base-Base interactions energy: -19.059 where: short stacking energy: -19.059 Base-Backbone interact. energy: -0.000 local terms energy: -27.224087 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -35.473211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.473211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.473211 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.012 local terms energy: -22.514577 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -4.651 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: 3, replica: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -40.822135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.822135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.822135 (E_RNA) where: Base-Base interactions energy: -16.568 where: short stacking energy: -16.568 Base-Backbone interact. energy: -0.001 local terms energy: -24.253435 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -32.488571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.488571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.488571 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.004 local terms energy: -22.777940 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -35.840322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.840322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.840322 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -0.001 local terms energy: -24.912334 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.465 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: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -35.508942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.508942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.508942 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.061 local terms energy: -22.240636 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -37.559567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.559567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.559567 (E_RNA) where: Base-Base interactions energy: -16.257 where: short stacking energy: -16.257 Base-Backbone interact. energy: -0.000 local terms energy: -21.302759 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -31.369374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369374 (E_RNA) where: Base-Base interactions energy: -10.611 where: short stacking energy: -10.611 Base-Backbone interact. energy: -0.005 local terms energy: -20.753636 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -32.850564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.850564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.850564 (E_RNA) where: Base-Base interactions energy: -8.679 where: short stacking energy: -8.679 Base-Backbone interact. energy: -0.001 local terms energy: -24.169859 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -4.548 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: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -30.780027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.780027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.780027 (E_RNA) where: Base-Base interactions energy: -3.847 where: short stacking energy: -3.847 Base-Backbone interact. energy: -0.097 local terms energy: -26.836753 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -3.872 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: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -36.512945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.512945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.512945 (E_RNA) where: Base-Base interactions energy: -15.037 where: short stacking energy: -15.037 Base-Backbone interact. energy: -0.001 local terms energy: -21.474982 where: bonds (distance) C4'-P energy: -1.933 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -4.651 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: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -41.230677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.230677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.230677 (E_RNA) where: Base-Base interactions energy: -16.412 where: short stacking energy: -16.412 Base-Backbone interact. energy: -0.005 local terms energy: -24.813294 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -2.811 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: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -39.205275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.205275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.205275 (E_RNA) where: Base-Base interactions energy: -13.021 where: short stacking energy: -13.021 Base-Backbone interact. energy: -0.007 local terms energy: -26.177833 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -38.097369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.097369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.097369 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.000 local terms energy: -25.170820 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -35.942116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.942116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.942116 (E_RNA) where: Base-Base interactions energy: -14.350 where: short stacking energy: -14.350 Base-Backbone interact. energy: -0.157 local terms energy: -21.435126 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -30.677634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.677634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.677634 (E_RNA) where: Base-Base interactions energy: -9.056 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.012 local terms energy: -21.608743 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -5.242 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: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -31.866668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.866668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.866668 (E_RNA) where: Base-Base interactions energy: -12.803 where: short stacking energy: -12.803 Base-Backbone interact. energy: -0.147 local terms energy: -18.917060 where: bonds (distance) C4'-P energy: -3.531 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -26.256716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.256716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.256716 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.058 local terms energy: -18.116664 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: 0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -30.646417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.646417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.646417 (E_RNA) where: Base-Base interactions energy: -12.933 where: short stacking energy: -12.933 Base-Backbone interact. energy: -0.001 local terms energy: -17.711909 where: bonds (distance) C4'-P energy: -2.686 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -30.241367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.241367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.241367 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.096 local terms energy: -22.569516 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -5.011 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: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -41.551297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.551297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.551297 (E_RNA) where: Base-Base interactions energy: -15.771 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.001 local terms energy: -25.778517 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -4.591 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: 2, replica: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -40.294813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.294813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.294813 (E_RNA) where: Base-Base interactions energy: -15.759 where: short stacking energy: -15.759 Base-Backbone interact. energy: -0.012 local terms energy: -24.524771 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -30.382353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.382353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.382353 (E_RNA) where: Base-Base interactions energy: -9.213 where: short stacking energy: -9.213 Base-Backbone interact. energy: -0.027 local terms energy: -21.142318 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -4.371 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: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -36.975648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.975648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.975648 (E_RNA) where: Base-Base interactions energy: -9.000 where: short stacking energy: -9.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.975210 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -5.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -35.479906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.479906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.479906 (E_RNA) where: Base-Base interactions energy: -13.666 where: short stacking energy: -13.666 Base-Backbone interact. energy: -0.000 local terms energy: -21.813440 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.396 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -30.954566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.954566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.954566 (E_RNA) where: Base-Base interactions energy: -8.744 where: short stacking energy: -8.744 Base-Backbone interact. energy: -0.000 local terms energy: -22.210419 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -32.245861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.245861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.245861 (E_RNA) where: Base-Base interactions energy: -9.487 where: short stacking energy: -9.487 Base-Backbone interact. energy: -0.000 local terms energy: -22.758714 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -33.048781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.048781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.048781 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.706 Base-Backbone interact. energy: -0.081 local terms energy: -22.261544 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -2.962 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: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -30.740107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.740107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.740107 (E_RNA) where: Base-Base interactions energy: -11.764 where: short stacking energy: -11.764 Base-Backbone interact. energy: -0.099 local terms energy: -18.876924 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -0.459 flat angles P-C4'-P energy: -2.642 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: 10, replica: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -27.950852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950852 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.087 local terms energy: -16.072907 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -1.418 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -44.188514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.188514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.188514 (E_RNA) where: Base-Base interactions energy: -16.739 where: short stacking energy: -16.739 Base-Backbone interact. energy: -0.002 local terms energy: -27.447788 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -38.633338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.633338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.633338 (E_RNA) where: Base-Base interactions energy: -16.061 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.005 local terms energy: -22.566970 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -33.562569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.562569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.562569 (E_RNA) where: Base-Base interactions energy: -11.198 where: short stacking energy: -11.198 Base-Backbone interact. energy: -0.013 local terms energy: -22.351210 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -35.140812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.140812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.140812 (E_RNA) where: Base-Base interactions energy: -14.398 where: short stacking energy: -14.398 Base-Backbone interact. energy: -0.005 local terms energy: -20.737971 where: bonds (distance) C4'-P energy: -4.636 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -38.847518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.847518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.847518 (E_RNA) where: Base-Base interactions energy: -15.815 where: short stacking energy: -15.815 Base-Backbone interact. energy: -0.004 local terms energy: -23.027691 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -2.716 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -30.582869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.582869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.582869 (E_RNA) where: Base-Base interactions energy: -7.749 where: short stacking energy: -7.749 Base-Backbone interact. energy: -0.000 local terms energy: -22.833662 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.000 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: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -31.477837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.477837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.477837 (E_RNA) where: Base-Base interactions energy: -9.005 where: short stacking energy: -9.005 Base-Backbone interact. energy: -0.003 local terms energy: -22.469354 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -32.814778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.814778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.814778 (E_RNA) where: Base-Base interactions energy: -13.974 where: short stacking energy: -14.237 Base-Backbone interact. energy: -0.010 local terms energy: -18.830449 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -1.969 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: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -30.762848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.762848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.762848 (E_RNA) where: Base-Base interactions energy: -9.602 where: short stacking energy: -9.602 Base-Backbone interact. energy: -0.000 local terms energy: -21.161151 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -4.425 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: 238 Temperature: 1.350000 Total energy: -28.646232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.646232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.646232 (E_RNA) where: Base-Base interactions energy: -8.846 where: short stacking energy: -8.656 Base-Backbone interact. energy: -0.001 local terms energy: -19.799835 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.354 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: 7 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -42.295830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.295830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.295830 (E_RNA) where: Base-Base interactions energy: -16.977 where: short stacking energy: -16.977 Base-Backbone interact. energy: -0.000 local terms energy: -25.318332 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -2.931 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: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -37.155106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.155106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.155106 (E_RNA) where: Base-Base interactions energy: -14.227 where: short stacking energy: -14.227 Base-Backbone interact. energy: -0.001 local terms energy: -22.927919 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -34.526982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.526982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.526982 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.405 Base-Backbone interact. energy: 0.438 local terms energy: -25.559316 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -4.352 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: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -35.277672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.277672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.277672 (E_RNA) where: Base-Base interactions energy: -11.880 where: short stacking energy: -11.880 Base-Backbone interact. energy: -0.023 local terms energy: -23.375171 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -36.753809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753809 (E_RNA) where: Base-Base interactions energy: -12.854 where: short stacking energy: -12.854 Base-Backbone interact. energy: -0.000 local terms energy: -23.900190 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.477 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: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -33.143861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.143861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.143861 (E_RNA) where: Base-Base interactions energy: -10.610 where: short stacking energy: -10.610 Base-Backbone interact. energy: -0.036 local terms energy: -22.497275 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -35.410201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.410201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.410201 (E_RNA) where: Base-Base interactions energy: -11.381 where: short stacking energy: -11.381 Base-Backbone interact. energy: -0.004 local terms energy: -24.024410 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -4.505 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: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -34.664130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.664130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.664130 (E_RNA) where: Base-Base interactions energy: -13.305 where: short stacking energy: -13.305 Base-Backbone interact. energy: -0.001 local terms energy: -21.357895 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -3.438 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: 9, replica: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -31.546526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.546526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.546526 (E_RNA) where: Base-Base interactions energy: -10.108 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.000 local terms energy: -21.438710 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -2.191 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: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -32.826639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.826639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.826639 (E_RNA) where: Base-Base interactions energy: -10.975 where: short stacking energy: -10.975 Base-Backbone interact. energy: -0.028 local terms energy: -21.822851 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -42.650952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.650952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.650952 (E_RNA) where: Base-Base interactions energy: -17.892 where: short stacking energy: -17.892 Base-Backbone interact. energy: -0.003 local terms energy: -24.755780 where: bonds (distance) C4'-P energy: -2.045 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -5.556 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: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -38.868927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.868927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.868927 (E_RNA) where: Base-Base interactions energy: -14.262 where: short stacking energy: -14.262 Base-Backbone interact. energy: -0.019 local terms energy: -24.587193 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -36.907186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.907186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.907186 (E_RNA) where: Base-Base interactions energy: -13.292 where: short stacking energy: -13.292 Base-Backbone interact. energy: -0.029 local terms energy: -23.585759 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -38.202693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.202693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.202693 (E_RNA) where: Base-Base interactions energy: -13.310 where: short stacking energy: -13.310 Base-Backbone interact. energy: -0.013 local terms energy: -24.880018 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -38.892218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.892218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.892218 (E_RNA) where: Base-Base interactions energy: -17.036 where: short stacking energy: -17.036 Base-Backbone interact. energy: -0.000 local terms energy: -21.855820 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -35.531187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.531187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.531187 (E_RNA) where: Base-Base interactions energy: -15.386 where: short stacking energy: -15.386 Base-Backbone interact. energy: -0.073 local terms energy: -20.072373 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -32.694902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.694902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.694902 (E_RNA) where: Base-Base interactions energy: -13.276 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.068 local terms energy: -19.350331 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -0.643 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -29.147273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.147273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.147273 (E_RNA) where: Base-Base interactions energy: -5.581 where: short stacking energy: -5.581 Base-Backbone interact. energy: -0.742 local terms energy: -22.824398 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.493 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: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -30.121805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.121805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.121805 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.070 local terms energy: -21.900838 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -29.172801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.172801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.172801 (E_RNA) where: Base-Base interactions energy: -12.210 where: short stacking energy: -12.210 Base-Backbone interact. energy: -0.003 local terms energy: -16.959403 where: bonds (distance) C4'-P energy: -2.057 bonds (distance) P-C4' energy: -2.634 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -40.213583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.213583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.213583 (E_RNA) where: Base-Base interactions energy: -15.862 where: short stacking energy: -15.862 Base-Backbone interact. energy: -0.083 local terms energy: -24.268517 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -3.587 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: 2, replica: 1 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -45.050911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.050911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.050911 (E_RNA) where: Base-Base interactions energy: -17.200 where: short stacking energy: -17.200 Base-Backbone interact. energy: -0.000 local terms energy: -27.850862 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -31.422237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.422237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.422237 (E_RNA) where: Base-Base interactions energy: -9.115 where: short stacking energy: -9.115 Base-Backbone interact. energy: -0.006 local terms energy: -22.300865 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -5.151 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: 4, replica: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -36.726929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.726929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.726929 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.004 local terms energy: -25.972695 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -4.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -34.584769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.584769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.584769 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.086 local terms energy: -24.145762 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -3.720 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: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -32.143137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.143137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.143137 (E_RNA) where: Base-Base interactions energy: -9.033 where: short stacking energy: -9.033 Base-Backbone interact. energy: -0.033 local terms energy: -23.076978 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.863 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: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -31.397516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.397516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.397516 (E_RNA) where: Base-Base interactions energy: -13.108 where: short stacking energy: -13.108 Base-Backbone interact. energy: -0.005 local terms energy: -18.285040 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -26.341720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.341720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.341720 (E_RNA) where: Base-Base interactions energy: -8.150 where: short stacking energy: -8.150 Base-Backbone interact. energy: -0.001 local terms energy: -18.190517 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -3.243 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -26.078443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.078443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.078443 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.000 local terms energy: -15.934555 where: bonds (distance) C4'-P energy: -1.506 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -1.453 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -27.972687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.972687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.972687 (E_RNA) where: Base-Base interactions energy: -10.730 where: short stacking energy: -10.730 Base-Backbone interact. energy: -0.003 local terms energy: -17.239793 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -1.464 tors. eta vs tors. theta energy: -0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -38.625660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.625660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.625660 (E_RNA) where: Base-Base interactions energy: -14.759 where: short stacking energy: -14.759 Base-Backbone interact. energy: -0.006 local terms energy: -23.861499 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -36.140144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.140144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.140144 (E_RNA) where: Base-Base interactions energy: -13.166 where: short stacking energy: -13.166 Base-Backbone interact. energy: -0.001 local terms energy: -22.973136 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -40.612465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.612465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.612465 (E_RNA) where: Base-Base interactions energy: -17.402 where: short stacking energy: -17.402 Base-Backbone interact. energy: -0.000 local terms energy: -23.210734 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -42.668472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.668472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.668472 (E_RNA) where: Base-Base interactions energy: -16.461 where: short stacking energy: -16.461 Base-Backbone interact. energy: -0.001 local terms energy: -26.206549 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -37.291282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.291282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.291282 (E_RNA) where: Base-Base interactions energy: -10.982 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.000 local terms energy: -26.309657 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -28.957509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.957509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.957509 (E_RNA) where: Base-Base interactions energy: -8.043 where: short stacking energy: -8.043 Base-Backbone interact. energy: -0.017 local terms energy: -20.897549 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.422 flat angles P-C4'-P energy: -4.234 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: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -28.333915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.333915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.333915 (E_RNA) where: Base-Base interactions energy: -5.862 where: short stacking energy: -5.862 Base-Backbone interact. energy: -0.000 local terms energy: -22.472313 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.410 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: 242 Temperature: 1.250000 Total energy: -34.775348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.775348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.775348 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.001 local terms energy: -20.970930 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.008 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -29.601079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.601079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.601079 (E_RNA) where: Base-Base interactions energy: -9.780 where: short stacking energy: -9.780 Base-Backbone interact. energy: -0.000 local terms energy: -19.820779 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.228 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: 10, replica: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -31.550471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.550471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.550471 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.009 local terms energy: -20.572046 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -1.133 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: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -41.647790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647790 (E_RNA) where: Base-Base interactions energy: -17.939 where: short stacking energy: -17.939 Base-Backbone interact. energy: -0.017 local terms energy: -23.691556 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.797 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: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -33.710567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.710567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.710567 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -10.901 Base-Backbone interact. energy: -1.820 local terms energy: -19.792593 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -35.539912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.539912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.539912 (E_RNA) where: Base-Base interactions energy: -12.627 where: short stacking energy: -12.627 Base-Backbone interact. energy: -0.000 local terms energy: -22.912502 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -32.700543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.700543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.700543 (E_RNA) where: Base-Base interactions energy: -10.732 where: short stacking energy: -9.881 Base-Backbone interact. energy: -0.023 local terms energy: -21.944994 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -3.735 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: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -34.290969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.290969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.290969 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.000 local terms energy: -23.666842 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -4.939 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: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -29.557629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.557629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.557629 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: 0.231 local terms energy: -19.446452 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -1.567 flat angles P-C4'-P energy: -2.467 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: 7, replica: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -35.702889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.702889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.702889 (E_RNA) where: Base-Base interactions energy: -16.507 where: short stacking energy: -16.507 Base-Backbone interact. energy: -0.000 local terms energy: -19.195894 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -4.416 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: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -32.463392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.463392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.463392 (E_RNA) where: Base-Base interactions energy: -12.475 where: short stacking energy: -12.475 Base-Backbone interact. energy: -0.016 local terms energy: -19.971789 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -3.779 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -4.811 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: 9, replica: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -29.956418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.956418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.956418 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.000 local terms energy: -22.336840 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -29.889272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.889272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.889272 (E_RNA) where: Base-Base interactions energy: -10.279 where: short stacking energy: -10.279 Base-Backbone interact. energy: -0.001 local terms energy: -19.609276 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -38.936003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.936003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.936003 (E_RNA) where: Base-Base interactions energy: -14.898 where: short stacking energy: -14.898 Base-Backbone interact. energy: -0.019 local terms energy: -24.018388 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.951 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: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -30.995109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.995109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.995109 (E_RNA) where: Base-Base interactions energy: -9.275 where: short stacking energy: -9.275 Base-Backbone interact. energy: -0.098 local terms energy: -21.621887 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -34.721744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.721744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.721744 (E_RNA) where: Base-Base interactions energy: -12.242 where: short stacking energy: -12.242 Base-Backbone interact. energy: -0.000 local terms energy: -22.479875 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -4.972 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: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -32.739143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.739143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.739143 (E_RNA) where: Base-Base interactions energy: -11.290 where: short stacking energy: -11.290 Base-Backbone interact. energy: -0.000 local terms energy: -21.449098 where: bonds (distance) C4'-P energy: -2.259 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -3.101 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: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -35.285846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.285846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.285846 (E_RNA) where: Base-Base interactions energy: -13.304 where: short stacking energy: -13.304 Base-Backbone interact. energy: -0.003 local terms energy: -21.979275 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -2.996 flat angles P-C4'-P energy: -3.847 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: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -34.695516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.695516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.695516 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.022 local terms energy: -23.655159 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.552 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: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -29.911860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.911860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.911860 (E_RNA) where: Base-Base interactions energy: -9.601 where: short stacking energy: -9.601 Base-Backbone interact. energy: -0.007 local terms energy: -20.304577 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -34.613326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.613326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.613326 (E_RNA) where: Base-Base interactions energy: -12.988 where: short stacking energy: -12.988 Base-Backbone interact. energy: -0.019 local terms energy: -21.606597 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -3.826 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: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -28.699470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.699470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.699470 (E_RNA) where: Base-Base interactions energy: -8.171 where: short stacking energy: -8.171 Base-Backbone interact. energy: -0.028 local terms energy: -20.500962 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -26.943283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.943283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.943283 (E_RNA) where: Base-Base interactions energy: -8.257 where: short stacking energy: -8.257 Base-Backbone interact. energy: -0.138 local terms energy: -18.547817 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -40.804414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.804414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.804414 (E_RNA) where: Base-Base interactions energy: -15.999 where: short stacking energy: -15.999 Base-Backbone interact. energy: -0.000 local terms energy: -24.805532 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -37.384514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.384514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.384514 (E_RNA) where: Base-Base interactions energy: -17.367 where: short stacking energy: -17.367 Base-Backbone interact. energy: -0.053 local terms energy: -19.964623 where: bonds (distance) C4'-P energy: -2.769 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.163 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: 3, replica: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -36.638191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.638191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.638191 (E_RNA) where: Base-Base interactions energy: -13.042 where: short stacking energy: -13.042 Base-Backbone interact. energy: -0.098 local terms energy: -23.498576 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -37.494528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.494528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.494528 (E_RNA) where: Base-Base interactions energy: -13.409 where: short stacking energy: -13.409 Base-Backbone interact. energy: -0.040 local terms energy: -24.044975 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -3.270 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: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -32.779854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.779854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.779854 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: -7.787 Base-Backbone interact. energy: -0.000 local terms energy: -24.993100 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -33.602020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.602020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.602020 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.087 local terms energy: -26.202854 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.935 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: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -35.937040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.937040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.937040 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -13.452 Base-Backbone interact. energy: -0.007 local terms energy: -22.477775 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -4.219 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: 245 Temperature: 1.250000 Total energy: -32.882560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.882560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.882560 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.096 local terms energy: -19.700492 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -2.065 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -31.150678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.150678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.150678 (E_RNA) where: Base-Base interactions energy: -8.778 where: short stacking energy: -8.778 Base-Backbone interact. energy: -0.059 local terms energy: -22.313640 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.210 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: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -24.950228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.950228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.950228 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.041 local terms energy: -16.589257 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.729 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: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -40.643376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.643376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.643376 (E_RNA) where: Base-Base interactions energy: -17.350 where: short stacking energy: -17.350 Base-Backbone interact. energy: -0.002 local terms energy: -23.290678 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -39.878520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.878520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.878520 (E_RNA) where: Base-Base interactions energy: -15.398 where: short stacking energy: -15.398 Base-Backbone interact. energy: -0.000 local terms energy: -24.480944 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.638 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -5.901 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: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -39.076783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.076783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.076783 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -14.621 Base-Backbone interact. energy: -0.007 local terms energy: -24.677581 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -4.692 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: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -28.979809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.979809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.979809 (E_RNA) where: Base-Base interactions energy: -12.246 where: short stacking energy: -6.029 Base-Backbone interact. energy: 0.094 local terms energy: -16.828053 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: 2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -36.946384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.946384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.946384 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.042 local terms energy: -24.294517 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -32.863400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.863400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.863400 (E_RNA) where: Base-Base interactions energy: -10.255 where: short stacking energy: -10.255 Base-Backbone interact. energy: -0.001 local terms energy: -22.607640 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -32.130778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.130778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.130778 (E_RNA) where: Base-Base interactions energy: -9.262 where: short stacking energy: -9.262 Base-Backbone interact. energy: -0.000 local terms energy: -22.869190 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -31.618157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.618157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.618157 (E_RNA) where: Base-Base interactions energy: -9.146 where: short stacking energy: -9.146 Base-Backbone interact. energy: -0.006 local terms energy: -22.466482 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.375 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: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -33.839161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.839161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.839161 (E_RNA) where: Base-Base interactions energy: -10.215 where: short stacking energy: -10.215 Base-Backbone interact. energy: -0.000 local terms energy: -23.624312 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -25.006770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.006770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.006770 (E_RNA) where: Base-Base interactions energy: -4.532 where: short stacking energy: -4.532 Base-Backbone interact. energy: -0.000 local terms energy: -20.474475 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -1.154 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: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -33.287461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.287461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.287461 (E_RNA) where: Base-Base interactions energy: -8.506 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.049 local terms energy: -24.732130 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -39.484636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.484636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.484636 (E_RNA) where: Base-Base interactions energy: -14.096 where: short stacking energy: -14.096 Base-Backbone interact. energy: -0.001 local terms energy: -25.387859 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -36.246182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.246182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.246182 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -24.297219 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -35.012803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.012803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.012803 (E_RNA) where: Base-Base interactions energy: -13.764 where: short stacking energy: -13.764 Base-Backbone interact. energy: -0.009 local terms energy: -21.239342 where: bonds (distance) C4'-P energy: -4.317 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -2.015 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -35.048825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.048825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.048825 (E_RNA) where: Base-Base interactions energy: -8.350 where: short stacking energy: -8.350 Base-Backbone interact. energy: -0.053 local terms energy: -26.645837 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.912 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: 6, replica: 8 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -34.425145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.425145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.425145 (E_RNA) where: Base-Base interactions energy: -12.397 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.094 local terms energy: -21.934105 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -36.465583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.465583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.465583 (E_RNA) where: Base-Base interactions energy: -10.948 where: short stacking energy: -12.228 Base-Backbone interact. energy: -0.003 local terms energy: -25.514189 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -31.953734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.953734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.953734 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -9.611 Base-Backbone interact. energy: -0.098 local terms energy: -22.244587 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.300 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.276 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: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -31.045137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.045137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.045137 (E_RNA) where: Base-Base interactions energy: -7.958 where: short stacking energy: -7.958 Base-Backbone interact. energy: -0.001 local terms energy: -23.086034 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -2.818 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -26.601530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.601530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.601530 (E_RNA) where: Base-Base interactions energy: -3.833 where: short stacking energy: -3.833 Base-Backbone interact. energy: -0.186 local terms energy: -22.583394 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -35.210855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.210855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.210855 (E_RNA) where: Base-Base interactions energy: -12.409 where: short stacking energy: -12.409 Base-Backbone interact. energy: -0.038 local terms energy: -22.763502 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.343 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: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -37.329005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.329005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.329005 (E_RNA) where: Base-Base interactions energy: -11.203 where: short stacking energy: -11.203 Base-Backbone interact. energy: -0.003 local terms energy: -26.123415 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -36.463076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463076 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.001 local terms energy: -25.105452 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -5.308 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: 248 Temperature: 1.050000 Total energy: -35.075720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.075720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.075720 (E_RNA) where: Base-Base interactions energy: -12.595 where: short stacking energy: -12.595 Base-Backbone interact. energy: -0.014 local terms energy: -22.466899 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.168 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.064 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: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -36.468664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.468664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.468664 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -13.236 Base-Backbone interact. energy: -0.002 local terms energy: -23.230956 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -28.622785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622785 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: 0.601 local terms energy: -22.555644 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -1.524 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: 7, replica: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -31.448869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.448869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.448869 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.065 local terms energy: -18.201244 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -1.228 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: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -36.679053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.679053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.679053 (E_RNA) where: Base-Base interactions energy: -10.702 where: short stacking energy: -10.702 Base-Backbone interact. energy: -0.045 local terms energy: -25.932739 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -3.994 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: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -29.035468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.035468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.035468 (E_RNA) where: Base-Base interactions energy: -9.536 where: short stacking energy: -9.536 Base-Backbone interact. energy: -0.000 local terms energy: -19.499033 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -1.952 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: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -29.607334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.607334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.607334 (E_RNA) where: Base-Base interactions energy: -8.228 where: short stacking energy: -8.228 Base-Backbone interact. energy: -0.095 local terms energy: -21.284884 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.701 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: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -37.725452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.725452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.725452 (E_RNA) where: Base-Base interactions energy: -13.130 where: short stacking energy: -13.130 Base-Backbone interact. energy: -0.021 local terms energy: -24.574847 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.638 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -4.312 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: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -33.454517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.454517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.454517 (E_RNA) where: Base-Base interactions energy: -13.190 where: short stacking energy: -13.190 Base-Backbone interact. energy: -0.005 local terms energy: -20.258984 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -3.511 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: 3, replica: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -41.040815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.040815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.040815 (E_RNA) where: Base-Base interactions energy: -16.394 where: short stacking energy: -16.394 Base-Backbone interact. energy: -0.001 local terms energy: -24.645069 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -3.132 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: 4, replica: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -36.859204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.859204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.859204 (E_RNA) where: Base-Base interactions energy: -13.067 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.000 local terms energy: -23.791840 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -4.626 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: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -35.248913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248913 (E_RNA) where: Base-Base interactions energy: -11.458 where: short stacking energy: -11.458 Base-Backbone interact. energy: -0.100 local terms energy: -23.691024 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -2.451 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -34.088276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.088276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.088276 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.000 local terms energy: -22.004860 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -2.920 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.203 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: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -36.275419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.275419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.275419 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -15.848 Base-Backbone interact. energy: -0.111 local terms energy: -20.316165 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -1.837 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: 8, replica: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -28.439410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.439410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.439410 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.232 local terms energy: -17.079906 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -2.893 flat angles P-C4'-P energy: -2.513 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: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -37.552526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.552526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.552526 (E_RNA) where: Base-Base interactions energy: -12.542 where: short stacking energy: -12.542 Base-Backbone interact. energy: -0.000 local terms energy: -25.009978 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -29.333802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.333802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.333802 (E_RNA) where: Base-Base interactions energy: -8.432 where: short stacking energy: -8.432 Base-Backbone interact. energy: -0.017 local terms energy: -20.884204 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -36.547671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.547671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.547671 (E_RNA) where: Base-Base interactions energy: -16.026 where: short stacking energy: -16.026 Base-Backbone interact. energy: 1.003 local terms energy: -21.524756 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: 0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -37.562402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.562402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.562402 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -12.737 Base-Backbone interact. energy: -0.000 local terms energy: -24.825733 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -34.878625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.878625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.878625 (E_RNA) where: Base-Base interactions energy: -15.002 where: short stacking energy: -15.002 Base-Backbone interact. energy: -0.039 local terms energy: -19.837269 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -32.052878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.052878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.052878 (E_RNA) where: Base-Base interactions energy: -12.921 where: short stacking energy: -12.921 Base-Backbone interact. energy: -0.053 local terms energy: -19.078593 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -35.151668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.151668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.151668 (E_RNA) where: Base-Base interactions energy: -12.780 where: short stacking energy: -12.780 Base-Backbone interact. energy: -0.560 local terms energy: -21.811264 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.877 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: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -34.096611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.096611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.096611 (E_RNA) where: Base-Base interactions energy: -10.592 where: short stacking energy: -10.592 Base-Backbone interact. energy: -0.388 local terms energy: -23.116817 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.618 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: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -38.830300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.830300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.830300 (E_RNA) where: Base-Base interactions energy: -16.448 where: short stacking energy: -16.448 Base-Backbone interact. energy: -0.000 local terms energy: -22.382519 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: 2.028 tors. eta vs tors. theta energy: -6.320 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: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -29.275563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.275563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.275563 (E_RNA) where: Base-Base interactions energy: -7.690 where: short stacking energy: -7.690 Base-Backbone interact. energy: -0.010 local terms energy: -21.574939 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -4.795 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: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -29.076940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.076940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.076940 (E_RNA) where: Base-Base interactions energy: -8.942 where: short stacking energy: -8.942 Base-Backbone interact. energy: -0.030 local terms energy: -20.104625 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -30.713468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.713468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.713468 (E_RNA) where: Base-Base interactions energy: -9.373 where: short stacking energy: -9.373 Base-Backbone interact. energy: -0.001 local terms energy: -21.339581 where: bonds (distance) C4'-P energy: -3.220 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -39.874614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.874614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.874614 (E_RNA) where: Base-Base interactions energy: -12.870 where: short stacking energy: -12.870 Base-Backbone interact. energy: -0.001 local terms energy: -27.003540 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -39.591621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.591621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.591621 (E_RNA) where: Base-Base interactions energy: -16.788 where: short stacking energy: -16.788 Base-Backbone interact. energy: -0.008 local terms energy: -22.795762 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -3.098 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -32.532879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.532879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.532879 (E_RNA) where: Base-Base interactions energy: -12.179 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.000 local terms energy: -20.353853 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -2.122 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -37.213187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.213187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.213187 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: -0.015 local terms energy: -23.607225 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -30.681922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.681922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.681922 (E_RNA) where: Base-Base interactions energy: -9.695 where: short stacking energy: -9.695 Base-Backbone interact. energy: -0.053 local terms energy: -20.933672 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -5.022 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: 6, replica: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -33.680184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.680184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.680184 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.000 local terms energy: -21.028792 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.034 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: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -32.515856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.515856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.515856 (E_RNA) where: Base-Base interactions energy: -14.822 where: short stacking energy: -14.822 Base-Backbone interact. energy: -0.026 local terms energy: -17.667164 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -0.420 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -31.296504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.296504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.296504 (E_RNA) where: Base-Base interactions energy: -14.336 where: short stacking energy: -14.336 Base-Backbone interact. energy: -0.001 local terms energy: -16.959425 where: bonds (distance) C4'-P energy: -1.389 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -1.830 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: 9, replica: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -27.957377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.957377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.957377 (E_RNA) where: Base-Base interactions energy: -6.833 where: short stacking energy: -6.833 Base-Backbone interact. energy: -0.001 local terms energy: -21.123302 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -27.480052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.480052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.480052 (E_RNA) where: Base-Base interactions energy: -5.881 where: short stacking energy: -5.881 Base-Backbone interact. energy: -0.349 local terms energy: -21.249922 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -41.861932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.861932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.861932 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.000 local terms energy: -29.627469 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -4.988 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: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -39.838448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.838448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.838448 (E_RNA) where: Base-Base interactions energy: -12.338 where: short stacking energy: -12.338 Base-Backbone interact. energy: -0.004 local terms energy: -27.496847 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -37.552099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.552099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.552099 (E_RNA) where: Base-Base interactions energy: -17.829 where: short stacking energy: -17.829 Base-Backbone interact. energy: -0.001 local terms energy: -19.721828 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -1.467 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -37.447873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.447873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.447873 (E_RNA) where: Base-Base interactions energy: -13.395 where: short stacking energy: -13.395 Base-Backbone interact. energy: -0.032 local terms energy: -24.020867 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -40.259823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.259823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.259823 (E_RNA) where: Base-Base interactions energy: -14.429 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.002 local terms energy: -25.828235 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -6.309 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: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -35.194560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.194560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.194560 (E_RNA) where: Base-Base interactions energy: -8.817 where: short stacking energy: -8.817 Base-Backbone interact. energy: -0.000 local terms energy: -26.378043 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -5.868 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: 252 Temperature: 1.200000 Total energy: -31.171528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.171528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.171528 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.505 Base-Backbone interact. energy: -0.001 local terms energy: -22.665982 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -33.204974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.204974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.204974 (E_RNA) where: Base-Base interactions energy: -8.044 where: short stacking energy: -8.044 Base-Backbone interact. energy: -0.000 local terms energy: -25.160870 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.174 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: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -28.700481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.700481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.700481 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.124 local terms energy: -21.038149 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -25.805599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.805599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.805599 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.019 local terms energy: -17.870544 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: 2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -40.633994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.633994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.633994 (E_RNA) where: Base-Base interactions energy: -16.906 where: short stacking energy: -16.906 Base-Backbone interact. energy: -0.003 local terms energy: -23.724429 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -3.304 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: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -43.994583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.994583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.994583 (E_RNA) where: Base-Base interactions energy: -13.949 where: short stacking energy: -13.949 Base-Backbone interact. energy: -0.000 local terms energy: -30.045546 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.586 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: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -38.997279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.997279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.997279 (E_RNA) where: Base-Base interactions energy: -13.927 where: short stacking energy: -13.927 Base-Backbone interact. energy: -0.002 local terms energy: -25.068759 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -4.262 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: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -34.439987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.439987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.439987 (E_RNA) where: Base-Base interactions energy: -9.633 where: short stacking energy: -9.633 Base-Backbone interact. energy: -0.099 local terms energy: -24.707975 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -33.760639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.760639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.760639 (E_RNA) where: Base-Base interactions energy: -13.462 where: short stacking energy: -13.462 Base-Backbone interact. energy: -0.050 local terms energy: -20.248727 where: bonds (distance) C4'-P energy: -0.777 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.871 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: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -28.586822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.586822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.586822 (E_RNA) where: Base-Base interactions energy: -8.860 where: short stacking energy: -8.860 Base-Backbone interact. energy: -0.140 local terms energy: -19.586504 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -1.894 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -32.786387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.786387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.786387 (E_RNA) where: Base-Base interactions energy: -12.686 where: short stacking energy: -12.963 Base-Backbone interact. energy: 1.248 local terms energy: -21.347698 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -30.161614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.161614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.161614 (E_RNA) where: Base-Base interactions energy: -9.380 where: short stacking energy: -9.380 Base-Backbone interact. energy: -0.013 local terms energy: -20.768698 where: bonds (distance) C4'-P energy: -2.686 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -28.081400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.081400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.081400 (E_RNA) where: Base-Base interactions energy: -10.698 where: short stacking energy: -10.698 Base-Backbone interact. energy: -0.050 local terms energy: -17.333616 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -3.769 flat angles P-C4'-P energy: -3.998 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: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -26.697375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.697375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.697375 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.013 local terms energy: -18.677182 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -3.752 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: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -36.898008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.898008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.898008 (E_RNA) where: Base-Base interactions energy: -16.266 where: short stacking energy: -16.266 Base-Backbone interact. energy: -0.001 local terms energy: -20.631295 where: bonds (distance) C4'-P energy: -3.444 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -35.516524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.516524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.516524 (E_RNA) where: Base-Base interactions energy: -13.125 where: short stacking energy: -13.125 Base-Backbone interact. energy: -0.003 local terms energy: -22.387824 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -3.641 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: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -30.410468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.410468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.410468 (E_RNA) where: Base-Base interactions energy: -9.537 where: short stacking energy: -9.537 Base-Backbone interact. energy: -0.048 local terms energy: -20.825621 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -4.417 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: 4, replica: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -33.652135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.652135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.652135 (E_RNA) where: Base-Base interactions energy: -12.260 where: short stacking energy: -12.260 Base-Backbone interact. energy: -0.000 local terms energy: -21.392008 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.990 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: 5, replica: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -33.251452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.251452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.251452 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.011 local terms energy: -19.833733 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -29.666354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.666354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.666354 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.303 Base-Backbone interact. energy: -0.045 local terms energy: -21.518491 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -29.099993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.099993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.099993 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.000 local terms energy: -22.136194 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -34.104198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.104198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.104198 (E_RNA) where: Base-Base interactions energy: -11.436 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.000 local terms energy: -22.668492 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -3.255 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: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -28.303982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303982 (E_RNA) where: Base-Base interactions energy: -9.084 where: short stacking energy: -9.084 Base-Backbone interact. energy: 0.942 local terms energy: -20.161972 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -2.404 flat angles P-C4'-P energy: -3.367 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: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -29.568791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.568791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.568791 (E_RNA) where: Base-Base interactions energy: -13.593 where: short stacking energy: -13.593 Base-Backbone interact. energy: -0.001 local terms energy: -15.974503 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -1.507 tors. eta vs tors. theta energy: 0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -39.908951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.908951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.908951 (E_RNA) where: Base-Base interactions energy: -16.748 where: short stacking energy: -16.748 Base-Backbone interact. energy: 0.140 local terms energy: -23.301273 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.879 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -41.914172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.914172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.914172 (E_RNA) where: Base-Base interactions energy: -17.964 where: short stacking energy: -17.964 Base-Backbone interact. energy: -0.000 local terms energy: -23.949709 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -39.868633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.868633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.868633 (E_RNA) where: Base-Base interactions energy: -13.664 where: short stacking energy: -13.664 Base-Backbone interact. energy: -0.000 local terms energy: -26.204922 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -4.191 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: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -37.853249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.853249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.853249 (E_RNA) where: Base-Base interactions energy: -15.167 where: short stacking energy: -15.167 Base-Backbone interact. energy: -0.001 local terms energy: -22.685145 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.572 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: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -33.047441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.047441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.047441 (E_RNA) where: Base-Base interactions energy: -9.376 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.037 local terms energy: -23.634273 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -35.131982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131982 (E_RNA) where: Base-Base interactions energy: -12.316 where: short stacking energy: -12.316 Base-Backbone interact. energy: -0.004 local terms energy: -22.812733 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.751 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: 7, replica: 2 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -28.923160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.923160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.923160 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.002 local terms energy: -20.862665 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -31.928440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.928440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.928440 (E_RNA) where: Base-Base interactions energy: -9.245 where: short stacking energy: -9.245 Base-Backbone interact. energy: -0.000 local terms energy: -22.682843 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -38.415943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.415943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.415943 (E_RNA) where: Base-Base interactions energy: -15.540 where: short stacking energy: -15.540 Base-Backbone interact. energy: 0.082 local terms energy: -22.958627 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -3.843 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: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -26.106239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.106239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.106239 (E_RNA) where: Base-Base interactions energy: -7.299 where: short stacking energy: -7.374 Base-Backbone interact. energy: 0.092 local terms energy: -18.899244 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: 0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -41.511856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.511856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.511856 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.028 local terms energy: -27.514948 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -4.818 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: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -43.914491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.914491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.914491 (E_RNA) where: Base-Base interactions energy: -17.964 where: short stacking energy: -17.964 Base-Backbone interact. energy: -0.000 local terms energy: -25.950843 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -1.733 tors. eta vs tors. theta energy: -4.829 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: 3, replica: 1 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -45.408692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.408692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.408692 (E_RNA) where: Base-Base interactions energy: -15.649 where: short stacking energy: -15.649 Base-Backbone interact. energy: -0.000 local terms energy: -29.759321 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -6.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -41.748127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.748127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.748127 (E_RNA) where: Base-Base interactions energy: -18.063 where: short stacking energy: -18.063 Base-Backbone interact. energy: -0.001 local terms energy: -23.684780 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.632 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: 5, replica: 10 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -35.874189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.874189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.874189 (E_RNA) where: Base-Base interactions energy: -14.197 where: short stacking energy: -14.197 Base-Backbone interact. energy: -0.000 local terms energy: -21.677487 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -3.310 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: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -31.764999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.764999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.764999 (E_RNA) where: Base-Base interactions energy: -9.707 where: short stacking energy: -9.707 Base-Backbone interact. energy: -0.057 local terms energy: -22.001166 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -37.007777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.007777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.007777 (E_RNA) where: Base-Base interactions energy: -13.329 where: short stacking energy: -13.329 Base-Backbone interact. energy: -0.000 local terms energy: -23.678338 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -29.327760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.327760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.327760 (E_RNA) where: Base-Base interactions energy: -9.612 where: short stacking energy: -9.612 Base-Backbone interact. energy: -0.105 local terms energy: -19.610230 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: 1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -32.674470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.674470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.674470 (E_RNA) where: Base-Base interactions energy: -11.315 where: short stacking energy: -11.315 Base-Backbone interact. energy: -0.000 local terms energy: -21.359066 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -4.213 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: 10, replica: 3 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -31.399456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.399456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.399456 (E_RNA) where: Base-Base interactions energy: -11.481 where: short stacking energy: -11.481 Base-Backbone interact. energy: -0.001 local terms energy: -19.917615 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -1.640 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -36.806422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806422 (E_RNA) where: Base-Base interactions energy: -14.373 where: short stacking energy: -14.373 Base-Backbone interact. energy: -0.000 local terms energy: -22.433445 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -39.842431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.842431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.842431 (E_RNA) where: Base-Base interactions energy: -14.745 where: short stacking energy: -14.745 Base-Backbone interact. energy: -0.613 local terms energy: -24.484527 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.217 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: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -37.566930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566930 (E_RNA) where: Base-Base interactions energy: -13.587 where: short stacking energy: -13.587 Base-Backbone interact. energy: -0.007 local terms energy: -23.972881 where: bonds (distance) C4'-P energy: -2.777 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -5.366 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: 4, replica: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -38.796279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.796279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.796279 (E_RNA) where: Base-Base interactions energy: -15.665 where: short stacking energy: -15.665 Base-Backbone interact. energy: -0.001 local terms energy: -23.130341 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -35.101604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.101604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.101604 (E_RNA) where: Base-Base interactions energy: -11.738 where: short stacking energy: -11.738 Base-Backbone interact. energy: -0.019 local terms energy: -23.344567 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -34.814511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.814511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.814511 (E_RNA) where: Base-Base interactions energy: -13.962 where: short stacking energy: -13.962 Base-Backbone interact. energy: -0.086 local terms energy: -20.766575 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.500 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: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -35.536417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.536417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.536417 (E_RNA) where: Base-Base interactions energy: -12.249 where: short stacking energy: -12.249 Base-Backbone interact. energy: -0.196 local terms energy: -23.090506 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.907 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: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -28.081006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.081006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.081006 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: -0.000 local terms energy: -19.782136 where: bonds (distance) C4'-P energy: -4.192 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: 0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -31.123151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123151 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.084 local terms energy: -21.755133 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -31.470832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.470832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.470832 (E_RNA) where: Base-Base interactions energy: -12.279 where: short stacking energy: -12.279 Base-Backbone interact. energy: -0.122 local terms energy: -19.069793 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -1.639 tors. eta vs tors. theta energy: -0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -39.186685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.186685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.186685 (E_RNA) where: Base-Base interactions energy: -11.695 where: short stacking energy: -11.995 Base-Backbone interact. energy: -0.000 local terms energy: -27.491709 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -36.437024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.437024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.437024 (E_RNA) where: Base-Base interactions energy: -13.818 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.103 local terms energy: -22.515519 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.990 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -39.674792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.674792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.674792 (E_RNA) where: Base-Base interactions energy: -15.946 where: short stacking energy: -15.946 Base-Backbone interact. energy: -0.082 local terms energy: -23.647064 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -42.850388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.850388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.850388 (E_RNA) where: Base-Base interactions energy: -17.981 where: short stacking energy: -17.981 Base-Backbone interact. energy: -0.000 local terms energy: -24.869091 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -34.062062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.062062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.062062 (E_RNA) where: Base-Base interactions energy: -14.192 where: short stacking energy: -13.465 Base-Backbone interact. energy: -0.115 local terms energy: -19.754671 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -1.946 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: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -37.648047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.648047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.648047 (E_RNA) where: Base-Base interactions energy: -12.727 where: short stacking energy: -12.727 Base-Backbone interact. energy: -0.000 local terms energy: -24.920547 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.284 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: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -28.330402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.330402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.330402 (E_RNA) where: Base-Base interactions energy: -10.548 where: short stacking energy: -10.548 Base-Backbone interact. energy: -0.004 local terms energy: -17.778097 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -1.841 tors. eta vs tors. theta energy: 0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -34.278959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.278959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.278959 (E_RNA) where: Base-Base interactions energy: -13.537 where: short stacking energy: -13.537 Base-Backbone interact. energy: -0.000 local terms energy: -20.741534 where: bonds (distance) C4'-P energy: -3.258 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -27.401546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.401546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.401546 (E_RNA) where: Base-Base interactions energy: -4.856 where: short stacking energy: -4.856 Base-Backbone interact. energy: -0.037 local terms energy: -22.508141 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -4.351 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: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -31.322912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.322912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.322912 (E_RNA) where: Base-Base interactions energy: -13.250 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.000 local terms energy: -18.072160 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -39.178466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.178466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.178466 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.014 local terms energy: -24.304532 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -2.975 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: 2, replica: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -37.813403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.813403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.813403 (E_RNA) where: Base-Base interactions energy: -13.416 where: short stacking energy: -13.416 Base-Backbone interact. energy: -0.027 local terms energy: -24.370195 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -4.711 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: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -35.435252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.435252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.435252 (E_RNA) where: Base-Base interactions energy: -11.881 where: short stacking energy: -11.881 Base-Backbone interact. energy: -0.002 local terms energy: -23.552375 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -4.613 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.680 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: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -30.541010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.541010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.541010 (E_RNA) where: Base-Base interactions energy: -11.633 where: short stacking energy: -11.633 Base-Backbone interact. energy: 0.277 local terms energy: -19.185060 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -35.070530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.070530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.070530 (E_RNA) where: Base-Base interactions energy: -13.783 where: short stacking energy: -13.783 Base-Backbone interact. energy: -0.000 local terms energy: -21.287720 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -2.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -29.957337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.957337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.957337 (E_RNA) where: Base-Base interactions energy: -7.178 where: short stacking energy: -7.178 Base-Backbone interact. energy: -0.003 local terms energy: -22.776484 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.579 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: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -31.761110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.761110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.761110 (E_RNA) where: Base-Base interactions energy: -11.702 where: short stacking energy: -11.702 Base-Backbone interact. energy: -0.091 local terms energy: -19.968883 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -1.301 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: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -26.129881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.129881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.129881 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.060 local terms energy: -14.313420 where: bonds (distance) C4'-P energy: -2.880 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -0.498 flat angles P-C4'-P energy: -1.252 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: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -30.118630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.118630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.118630 (E_RNA) where: Base-Base interactions energy: -12.608 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.001 local terms energy: -17.509639 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -2.088 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: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -33.379262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.379262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.379262 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.084 local terms energy: -24.411943 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -4.424 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: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -43.346448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.346448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.346448 (E_RNA) where: Base-Base interactions energy: -16.324 where: short stacking energy: -16.324 Base-Backbone interact. energy: -0.001 local terms energy: -27.021389 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -34.637246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.637246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.637246 (E_RNA) where: Base-Base interactions energy: -10.339 where: short stacking energy: -10.339 Base-Backbone interact. energy: -0.100 local terms energy: -24.198393 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.424 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: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -36.653550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.653550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.653550 (E_RNA) where: Base-Base interactions energy: -12.812 where: short stacking energy: -12.812 Base-Backbone interact. energy: -0.003 local terms energy: -23.838402 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -31.271892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.271892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.271892 (E_RNA) where: Base-Base interactions energy: -9.705 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.000 local terms energy: -21.566514 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.388 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: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -31.525306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.525306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.525306 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.844 Base-Backbone interact. energy: -0.001 local terms energy: -22.681138 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: 0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -33.584086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.584086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.584086 (E_RNA) where: Base-Base interactions energy: -12.020 where: short stacking energy: -12.020 Base-Backbone interact. energy: -0.101 local terms energy: -21.463046 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -3.342 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -4.401 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: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -31.688658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.688658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.688658 (E_RNA) where: Base-Base interactions energy: -9.577 where: short stacking energy: -9.577 Base-Backbone interact. energy: -0.001 local terms energy: -22.110124 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -34.191902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.191902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.191902 (E_RNA) where: Base-Base interactions energy: -9.920 where: short stacking energy: -9.920 Base-Backbone interact. energy: -0.007 local terms energy: -24.264472 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -29.588298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.588298 (E_RNA) where: Base-Base interactions energy: -8.948 where: short stacking energy: -8.948 Base-Backbone interact. energy: -0.051 local terms energy: -20.589352 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -3.575 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -3.921 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: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -32.971254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.971254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.971254 (E_RNA) where: Base-Base interactions energy: -9.492 where: short stacking energy: -9.492 Base-Backbone interact. energy: -0.002 local terms energy: -23.476936 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -38.768604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.768604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.768604 (E_RNA) where: Base-Base interactions energy: -14.551 where: short stacking energy: -14.551 Base-Backbone interact. energy: -0.000 local terms energy: -24.217120 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -1.542 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -35.810972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.810972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.810972 (E_RNA) where: Base-Base interactions energy: -12.381 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.000 local terms energy: -23.430466 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -2.050 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -35.100942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.100942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.100942 (E_RNA) where: Base-Base interactions energy: -11.818 where: short stacking energy: -11.818 Base-Backbone interact. energy: -0.035 local terms energy: -23.248319 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -5.040 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: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -29.752912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.752912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.752912 (E_RNA) where: Base-Base interactions energy: -9.447 where: short stacking energy: -9.447 Base-Backbone interact. energy: -0.055 local terms energy: -20.251744 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -36.267878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.267878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.267878 (E_RNA) where: Base-Base interactions energy: -8.569 where: short stacking energy: -8.569 Base-Backbone interact. energy: -0.000 local terms energy: -27.698462 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.822 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: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -34.144247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.144247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.144247 (E_RNA) where: Base-Base interactions energy: -14.346 where: short stacking energy: -14.346 Base-Backbone interact. energy: -0.001 local terms energy: -19.797352 where: bonds (distance) C4'-P energy: -0.847 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -3.184 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: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -34.967204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.967204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.967204 (E_RNA) where: Base-Base interactions energy: -11.737 where: short stacking energy: -11.737 Base-Backbone interact. energy: -0.007 local terms energy: -23.222860 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -31.631091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.631091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.631091 (E_RNA) where: Base-Base interactions energy: -7.803 where: short stacking energy: -7.803 Base-Backbone interact. energy: -0.081 local terms energy: -23.746804 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -4.318 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: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -30.578928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.578928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.578928 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.000 local terms energy: -18.966721 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -25.350407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.350407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.350407 (E_RNA) where: Base-Base interactions energy: -6.653 where: short stacking energy: -6.653 Base-Backbone interact. energy: -1.143 local terms energy: -17.554663 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -1.456 flat angles P-C4'-P energy: -2.117 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: 1, replica: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -34.656370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.656370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.656370 (E_RNA) where: Base-Base interactions energy: -10.180 where: short stacking energy: -10.180 Base-Backbone interact. energy: -0.020 local terms energy: -24.457113 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.772 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: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -37.445703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.445703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.445703 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.000 local terms energy: -23.560481 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -37.495605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.495605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.495605 (E_RNA) where: Base-Base interactions energy: -17.673 where: short stacking energy: -17.673 Base-Backbone interact. energy: -0.001 local terms energy: -19.821390 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -1.157 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -40.050453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.050453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.050453 (E_RNA) where: Base-Base interactions energy: -14.309 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.000 local terms energy: -25.741368 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -7.427 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: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -32.057111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.057111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.057111 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.104 local terms energy: -20.254707 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -3.630 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: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -31.473772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.473772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.473772 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -8.818 Base-Backbone interact. energy: -0.038 local terms energy: -22.617479 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -34.059264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.059264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.059264 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -20.255374 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -0.311 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: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -32.510702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.510702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.510702 (E_RNA) where: Base-Base interactions energy: -12.973 where: short stacking energy: -12.973 Base-Backbone interact. energy: -0.007 local terms energy: -19.530773 where: bonds (distance) C4'-P energy: -3.411 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.245 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: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -34.733504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.733504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.733504 (E_RNA) where: Base-Base interactions energy: -10.880 where: short stacking energy: -10.880 Base-Backbone interact. energy: -0.026 local terms energy: -23.827882 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.949 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: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -28.885136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.885136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.885136 (E_RNA) where: Base-Base interactions energy: -12.691 where: short stacking energy: -12.691 Base-Backbone interact. energy: -0.003 local terms energy: -16.190994 where: bonds (distance) C4'-P energy: -1.929 bonds (distance) P-C4' energy: -3.813 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.658 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: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -38.063070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.063070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.063070 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.010 local terms energy: -24.044952 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -37.701557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.701557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.701557 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.000 local terms energy: -24.574999 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -40.273779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.273779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.273779 (E_RNA) where: Base-Base interactions energy: -15.783 where: short stacking energy: -15.783 Base-Backbone interact. energy: -0.001 local terms energy: -24.490227 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -35.026916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.026916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.026916 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.879 Base-Backbone interact. energy: -0.001 local terms energy: -21.530739 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -36.022876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.022876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.022876 (E_RNA) where: Base-Base interactions energy: -14.711 where: short stacking energy: -14.711 Base-Backbone interact. energy: -0.003 local terms energy: -21.308432 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -2.096 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -33.522225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.522225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.522225 (E_RNA) where: Base-Base interactions energy: -9.237 where: short stacking energy: -9.237 Base-Backbone interact. energy: -0.041 local terms energy: -24.243887 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -2.893 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: 7, replica: 7 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -32.774434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.774434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.774434 (E_RNA) where: Base-Base interactions energy: -12.303 where: short stacking energy: -12.303 Base-Backbone interact. energy: -0.000 local terms energy: -20.471508 where: bonds (distance) C4'-P energy: -2.383 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.179 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: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -34.010698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.010698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.010698 (E_RNA) where: Base-Base interactions energy: -8.635 where: short stacking energy: -8.635 Base-Backbone interact. energy: -0.000 local terms energy: -25.375359 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -32.425517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.425517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.425517 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.081 local terms energy: -20.612693 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -4.315 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: 10, replica: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -27.956113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.956113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.956113 (E_RNA) where: Base-Base interactions energy: -9.581 where: short stacking energy: -9.581 Base-Backbone interact. energy: -0.005 local terms energy: -18.369927 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -3.659 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: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -42.131154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.131154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.131154 (E_RNA) where: Base-Base interactions energy: -13.713 where: short stacking energy: -13.713 Base-Backbone interact. energy: -0.000 local terms energy: -28.418608 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -43.483111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.483111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.483111 (E_RNA) where: Base-Base interactions energy: -18.016 where: short stacking energy: -18.016 Base-Backbone interact. energy: -0.000 local terms energy: -25.466805 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -34.246777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.246777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.246777 (E_RNA) where: Base-Base interactions energy: -9.632 where: short stacking energy: -9.632 Base-Backbone interact. energy: -0.000 local terms energy: -24.614286 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -40.040569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.040569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.040569 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -13.843 Base-Backbone interact. energy: -0.000 local terms energy: -26.197547 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.842 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: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -29.748484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.748484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.748484 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.070 local terms energy: -20.277163 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -31.845278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.845278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.845278 (E_RNA) where: Base-Base interactions energy: -9.450 where: short stacking energy: -9.450 Base-Backbone interact. energy: -0.049 local terms energy: -22.346373 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -4.112 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: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -27.391609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391609 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.759 Base-Backbone interact. energy: -0.108 local terms energy: -19.524097 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -34.586170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.586170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.586170 (E_RNA) where: Base-Base interactions energy: -11.804 where: short stacking energy: -11.804 Base-Backbone interact. energy: -0.001 local terms energy: -22.781751 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -32.508091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.508091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.508091 (E_RNA) where: Base-Base interactions energy: -8.942 where: short stacking energy: -8.942 Base-Backbone interact. energy: -0.000 local terms energy: -23.566396 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.850 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: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -30.513440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.513440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.513440 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.001 local terms energy: -21.019696 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.687 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -41.230904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.230904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.230904 (E_RNA) where: Base-Base interactions energy: -16.456 where: short stacking energy: -16.456 Base-Backbone interact. energy: -0.000 local terms energy: -24.774420 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -32.861381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.861381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.861381 (E_RNA) where: Base-Base interactions energy: -9.444 where: short stacking energy: -9.444 Base-Backbone interact. energy: -0.181 local terms energy: -23.236352 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -33.256192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.256192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.256192 (E_RNA) where: Base-Base interactions energy: -13.005 where: short stacking energy: -13.005 Base-Backbone interact. energy: -0.020 local terms energy: -20.231510 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.382 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: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -37.717228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.717228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.717228 (E_RNA) where: Base-Base interactions energy: -14.367 where: short stacking energy: -14.367 Base-Backbone interact. energy: 0.535 local terms energy: -23.884917 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.236 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -32.684889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.684889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.684889 (E_RNA) where: Base-Base interactions energy: -9.481 where: short stacking energy: -9.481 Base-Backbone interact. energy: -0.040 local terms energy: -23.163470 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.001 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -32.401015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.401015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.401015 (E_RNA) where: Base-Base interactions energy: -9.296 where: short stacking energy: -9.296 Base-Backbone interact. energy: -0.110 local terms energy: -22.995374 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -32.318788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318788 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: 1.555 local terms energy: -24.185020 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.636 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: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -33.144949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.144949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.144949 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.064 local terms energy: -19.949749 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.981 flat angles P-C4'-P energy: -3.477 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: 9, replica: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -27.030770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.030770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.030770 (E_RNA) where: Base-Base interactions energy: -10.227 where: short stacking energy: -10.227 Base-Backbone interact. energy: -0.000 local terms energy: -16.804063 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.323 flat angles P-C4'-P energy: -3.541 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: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -38.039445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.039445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.039445 (E_RNA) where: Base-Base interactions energy: -16.360 where: short stacking energy: -16.360 Base-Backbone interact. energy: -0.000 local terms energy: -21.679266 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -2.620 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: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -41.934753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.934753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.934753 (E_RNA) where: Base-Base interactions energy: -16.758 where: short stacking energy: -16.758 Base-Backbone interact. energy: -0.003 local terms energy: -25.173774 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.763 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: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -37.830037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.830037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.830037 (E_RNA) where: Base-Base interactions energy: -13.512 where: short stacking energy: -13.512 Base-Backbone interact. energy: -0.000 local terms energy: -24.317316 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -5.042 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: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -31.366614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.366614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.366614 (E_RNA) where: Base-Base interactions energy: -13.058 where: short stacking energy: -13.058 Base-Backbone interact. energy: -0.005 local terms energy: -18.303209 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -2.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -37.883253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.883253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.883253 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.022 local terms energy: -24.614242 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -35.574780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.574780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.574780 (E_RNA) where: Base-Base interactions energy: -10.994 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.000 local terms energy: -24.580740 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -3.483 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: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -36.131920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.131920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.131920 (E_RNA) where: Base-Base interactions energy: -13.812 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.005 local terms energy: -22.314587 where: bonds (distance) C4'-P energy: -3.066 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -31.193202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.193202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.193202 (E_RNA) where: Base-Base interactions energy: -10.594 where: short stacking energy: -10.594 Base-Backbone interact. energy: -0.000 local terms energy: -20.599425 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -1.528 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -26.479401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.479401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.479401 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: -0.090 local terms energy: -19.436580 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -4.220 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: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -30.423180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.423180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.423180 (E_RNA) where: Base-Base interactions energy: -8.948 where: short stacking energy: -8.948 Base-Backbone interact. energy: -0.005 local terms energy: -21.469532 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.129 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: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -27.987422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.987422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.987422 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.007 local terms energy: -20.885962 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -40.962615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.962615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.962615 (E_RNA) where: Base-Base interactions energy: -15.515 where: short stacking energy: -13.477 Base-Backbone interact. energy: -0.004 local terms energy: -25.444079 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -39.787752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.787752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.787752 (E_RNA) where: Base-Base interactions energy: -12.836 where: short stacking energy: -12.836 Base-Backbone interact. energy: -0.000 local terms energy: -26.951446 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -38.836126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.836126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.836126 (E_RNA) where: Base-Base interactions energy: -13.497 where: short stacking energy: -13.497 Base-Backbone interact. energy: -0.000 local terms energy: -25.339133 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -39.292730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.292730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.292730 (E_RNA) where: Base-Base interactions energy: -14.091 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.026 local terms energy: -25.175679 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -33.818171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.818171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.818171 (E_RNA) where: Base-Base interactions energy: -9.039 where: short stacking energy: -9.039 Base-Backbone interact. energy: -0.004 local terms energy: -24.775035 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -37.048144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.048144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.048144 (E_RNA) where: Base-Base interactions energy: -13.280 where: short stacking energy: -13.280 Base-Backbone interact. energy: -0.097 local terms energy: -23.671121 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -35.851678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.851678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.851678 (E_RNA) where: Base-Base interactions energy: -11.792 where: short stacking energy: -11.792 Base-Backbone interact. energy: -0.028 local terms energy: -24.031354 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -5.143 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: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -30.121025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.121025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.121025 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.055 local terms energy: -22.588618 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -32.202744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.202744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.202744 (E_RNA) where: Base-Base interactions energy: -12.407 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.137 local terms energy: -19.658398 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -2.421 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -33.379144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.379144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.379144 (E_RNA) where: Base-Base interactions energy: -11.461 where: short stacking energy: -11.461 Base-Backbone interact. energy: -0.149 local terms energy: -21.769889 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -5.145 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: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -41.440818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.440818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.440818 (E_RNA) where: Base-Base interactions energy: -16.688 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.000 local terms energy: -24.752699 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -39.682130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.682130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.682130 (E_RNA) where: Base-Base interactions energy: -12.734 where: short stacking energy: -12.734 Base-Backbone interact. energy: -0.035 local terms energy: -26.912833 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -39.059546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.059546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.059546 (E_RNA) where: Base-Base interactions energy: -14.457 where: short stacking energy: -14.457 Base-Backbone interact. energy: -0.014 local terms energy: -24.588230 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -5.100 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: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -33.642754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.642754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.642754 (E_RNA) where: Base-Base interactions energy: -13.096 where: short stacking energy: -13.096 Base-Backbone interact. energy: -0.040 local terms energy: -20.506490 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -34.304775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.304775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.304775 (E_RNA) where: Base-Base interactions energy: -8.244 where: short stacking energy: -8.244 Base-Backbone interact. energy: -0.000 local terms energy: -26.060423 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -30.279371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.279371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.279371 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.000 local terms energy: -20.127480 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -3.386 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -4.063 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: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -32.082861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.082861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.082861 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.066 local terms energy: -23.664240 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -4.033 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: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -29.936898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.936898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.936898 (E_RNA) where: Base-Base interactions energy: -13.002 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.024 local terms energy: -16.910602 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -1.844 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -35.064623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064623 (E_RNA) where: Base-Base interactions energy: -14.456 where: short stacking energy: -14.456 Base-Backbone interact. energy: -0.052 local terms energy: -20.556479 where: bonds (distance) C4'-P energy: -2.011 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -28.287950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.287950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.287950 (E_RNA) where: Base-Base interactions energy: -4.766 where: short stacking energy: -4.766 Base-Backbone interact. energy: -0.043 local terms energy: -23.479151 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -42.682210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.682210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.682210 (E_RNA) where: Base-Base interactions energy: -16.452 where: short stacking energy: -16.452 Base-Backbone interact. energy: -0.000 local terms energy: -26.230175 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -6.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -36.085545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.085545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.085545 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.000 local terms energy: -23.194196 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -41.483284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.483284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.483284 (E_RNA) where: Base-Base interactions energy: -14.951 where: short stacking energy: -14.951 Base-Backbone interact. energy: -0.001 local terms energy: -26.531461 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -4.448 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: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -34.705483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.705483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.705483 (E_RNA) where: Base-Base interactions energy: -12.379 where: short stacking energy: -11.303 Base-Backbone interact. energy: -0.151 local terms energy: -22.175169 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: 0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -32.262447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.262447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.262447 (E_RNA) where: Base-Base interactions energy: -9.297 where: short stacking energy: -9.297 Base-Backbone interact. energy: -0.003 local terms energy: -22.962718 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -3.814 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: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -33.760094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.760094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.760094 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.000 local terms energy: -23.254178 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -28.795028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.795028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.795028 (E_RNA) where: Base-Base interactions energy: -9.168 where: short stacking energy: -9.168 Base-Backbone interact. energy: -0.019 local terms energy: -19.608201 where: bonds (distance) C4'-P energy: -2.376 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -28.901331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.901331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.901331 (E_RNA) where: Base-Base interactions energy: -8.402 where: short stacking energy: -8.402 Base-Backbone interact. energy: -0.000 local terms energy: -20.499558 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.708 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: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -31.635185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.635185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.635185 (E_RNA) where: Base-Base interactions energy: -10.501 where: short stacking energy: -10.501 Base-Backbone interact. energy: -0.004 local terms energy: -21.130347 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.270 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: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -30.855472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855472 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.000 local terms energy: -17.590960 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.746 flat angles P-C4'-P energy: -2.664 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: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -39.522289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.522289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.522289 (E_RNA) where: Base-Base interactions energy: -14.580 where: short stacking energy: -14.580 Base-Backbone interact. energy: -0.113 local terms energy: -24.829016 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -3.717 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: 2, replica: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -35.293504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.293504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.293504 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.008 local terms energy: -27.271448 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -5.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -36.990879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.990879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.990879 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.003 local terms energy: -24.371277 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -1.913 tors. eta vs tors. theta energy: -5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -34.444055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.444055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.444055 (E_RNA) where: Base-Base interactions energy: -13.498 where: short stacking energy: -13.498 Base-Backbone interact. energy: -0.109 local terms energy: -20.837539 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -2.364 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: 270 Temperature: 1.100000 Total energy: -34.194379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.194379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.194379 (E_RNA) where: Base-Base interactions energy: -13.934 where: short stacking energy: -13.934 Base-Backbone interact. energy: -0.000 local terms energy: -20.260132 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -1.670 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -33.645205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.645205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.645205 (E_RNA) where: Base-Base interactions energy: -7.943 where: short stacking energy: -7.943 Base-Backbone interact. energy: -0.000 local terms energy: -25.701605 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -27.543282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.543282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.543282 (E_RNA) where: Base-Base interactions energy: -7.428 where: short stacking energy: -7.428 Base-Backbone interact. energy: -0.017 local terms energy: -20.098240 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -3.375 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: 8, replica: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -31.963388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.963388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.963388 (E_RNA) where: Base-Base interactions energy: -10.210 where: short stacking energy: -10.210 Base-Backbone interact. energy: -0.000 local terms energy: -21.753160 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.740 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: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -34.386571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.386571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.386571 (E_RNA) where: Base-Base interactions energy: -11.057 where: short stacking energy: -11.057 Base-Backbone interact. energy: -0.114 local terms energy: -23.215072 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -2.976 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: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -28.235496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.235496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.235496 (E_RNA) where: Base-Base interactions energy: -9.820 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.165 local terms energy: -18.250158 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -4.815 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -3.442 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: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -40.945773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.945773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.945773 (E_RNA) where: Base-Base interactions energy: -16.702 where: short stacking energy: -16.702 Base-Backbone interact. energy: -0.019 local terms energy: -24.224495 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -4.557 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: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -40.845896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.845896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.845896 (E_RNA) where: Base-Base interactions energy: -16.404 where: short stacking energy: -16.404 Base-Backbone interact. energy: -0.000 local terms energy: -24.441581 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -34.977202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.977202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.977202 (E_RNA) where: Base-Base interactions energy: -12.576 where: short stacking energy: -12.576 Base-Backbone interact. energy: -0.007 local terms energy: -22.393505 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -34.115871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.115871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.115871 (E_RNA) where: Base-Base interactions energy: -12.185 where: short stacking energy: -12.185 Base-Backbone interact. energy: -0.001 local terms energy: -21.930021 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.132 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: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -33.570281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.570281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.570281 (E_RNA) where: Base-Base interactions energy: -11.852 where: short stacking energy: -11.852 Base-Backbone interact. energy: -0.019 local terms energy: -21.698852 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -3.909 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: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -37.683280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.683280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.683280 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.000 local terms energy: -22.928520 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.759 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: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -34.477444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.477444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.477444 (E_RNA) where: Base-Base interactions energy: -13.844 where: short stacking energy: -13.844 Base-Backbone interact. energy: 0.228 local terms energy: -20.861087 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.850 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: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -34.952384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.952384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.952384 (E_RNA) where: Base-Base interactions energy: -9.450 where: short stacking energy: -9.450 Base-Backbone interact. energy: -0.061 local terms energy: -25.440965 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -3.519 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: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -34.727567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.727567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.727567 (E_RNA) where: Base-Base interactions energy: -14.171 where: short stacking energy: -14.171 Base-Backbone interact. energy: -0.000 local terms energy: -20.556336 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -4.643 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -2.610 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: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -31.971583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.971583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.971583 (E_RNA) where: Base-Base interactions energy: -11.131 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.002 local terms energy: -20.838281 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -40.900800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.900800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.900800 (E_RNA) where: Base-Base interactions energy: -15.835 where: short stacking energy: -15.835 Base-Backbone interact. energy: -0.000 local terms energy: -25.065700 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -38.472133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.472133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.472133 (E_RNA) where: Base-Base interactions energy: -13.605 where: short stacking energy: -13.605 Base-Backbone interact. energy: -0.001 local terms energy: -24.866380 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -2.164 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: 4 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -35.598917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598917 (E_RNA) where: Base-Base interactions energy: -13.164 where: short stacking energy: -12.383 Base-Backbone interact. energy: -0.016 local terms energy: -22.419477 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.611 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -39.659418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.659418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.659418 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.017 local terms energy: -27.886776 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -35.962430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.962430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.962430 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.004 local terms energy: -23.358587 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -4.831 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: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -33.899609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.899609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.899609 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.103 local terms energy: -21.766093 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -29.079523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.079523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.079523 (E_RNA) where: Base-Base interactions energy: -6.676 where: short stacking energy: -6.676 Base-Backbone interact. energy: -0.058 local terms energy: -22.345754 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -32.556505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.556505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.556505 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -9.419 Base-Backbone interact. energy: -0.000 local terms energy: -23.137357 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -30.630134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.630134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.630134 (E_RNA) where: Base-Base interactions energy: -7.194 where: short stacking energy: -7.394 Base-Backbone interact. energy: -2.589 local terms energy: -20.847674 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -27.438638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.438638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.438638 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.010 local terms energy: -12.516216 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -3.740 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: 1.270 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -41.770214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.770214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.770214 (E_RNA) where: Base-Base interactions energy: -17.607 where: short stacking energy: -17.607 Base-Backbone interact. energy: -0.022 local terms energy: -24.141068 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.021 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: 2, replica: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -37.401598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.401598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.401598 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.003 local terms energy: -24.744300 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -37.958560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.958560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.958560 (E_RNA) where: Base-Base interactions energy: -16.323 where: short stacking energy: -16.323 Base-Backbone interact. energy: -0.000 local terms energy: -21.635100 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -39.642292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.642292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.642292 (E_RNA) where: Base-Base interactions energy: -14.877 where: short stacking energy: -14.877 Base-Backbone interact. energy: -0.000 local terms energy: -24.765371 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -36.461877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.461877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.461877 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.000 local terms energy: -25.784634 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -29.742145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.742145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.742145 (E_RNA) where: Base-Base interactions energy: -8.549 where: short stacking energy: -8.549 Base-Backbone interact. energy: -0.001 local terms energy: -21.192633 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -5.261 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: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -35.890651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.890651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.890651 (E_RNA) where: Base-Base interactions energy: -12.997 where: short stacking energy: -12.997 Base-Backbone interact. energy: -0.000 local terms energy: -22.893254 where: bonds (distance) C4'-P energy: -3.510 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -30.341380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.341380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.341380 (E_RNA) where: Base-Base interactions energy: -11.450 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.010 local terms energy: -18.881946 where: bonds (distance) C4'-P energy: -2.963 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -28.660788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.660788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.660788 (E_RNA) where: Base-Base interactions energy: -8.931 where: short stacking energy: -8.931 Base-Backbone interact. energy: -0.032 local terms energy: -19.698486 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.385 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: 10, replica: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -33.352361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.352361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.352361 (E_RNA) where: Base-Base interactions energy: -11.064 where: short stacking energy: -11.064 Base-Backbone interact. energy: -0.006 local terms energy: -22.282624 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -3.028 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -40.332225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.332225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.332225 (E_RNA) where: Base-Base interactions energy: -14.704 where: short stacking energy: -14.704 Base-Backbone interact. energy: -0.005 local terms energy: -25.623432 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -4.923 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: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -36.931163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.931163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.931163 (E_RNA) where: Base-Base interactions energy: -12.732 where: short stacking energy: -12.732 Base-Backbone interact. energy: -0.100 local terms energy: -24.099963 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -4.090 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: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -40.079470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.079470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.079470 (E_RNA) where: Base-Base interactions energy: -13.731 where: short stacking energy: -12.738 Base-Backbone interact. energy: -2.104 local terms energy: -24.244810 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -37.537265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.537265 (E_RNA) where: Base-Base interactions energy: -12.267 where: short stacking energy: -12.267 Base-Backbone interact. energy: -0.000 local terms energy: -25.269858 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -30.656663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.656663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.656663 (E_RNA) where: Base-Base interactions energy: -12.447 where: short stacking energy: -12.447 Base-Backbone interact. energy: -0.015 local terms energy: -18.195474 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.160 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: 0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -37.249299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.249299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.249299 (E_RNA) where: Base-Base interactions energy: -16.883 where: short stacking energy: -16.883 Base-Backbone interact. energy: -0.051 local terms energy: -20.315764 where: bonds (distance) C4'-P energy: -3.581 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -35.072321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.072321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.072321 (E_RNA) where: Base-Base interactions energy: -8.336 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.000 local terms energy: -26.736516 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -30.860503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.860503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.860503 (E_RNA) where: Base-Base interactions energy: -8.143 where: short stacking energy: -8.143 Base-Backbone interact. energy: -0.074 local terms energy: -22.643222 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -29.138939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.138939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.138939 (E_RNA) where: Base-Base interactions energy: -8.162 where: short stacking energy: -8.162 Base-Backbone interact. energy: -0.002 local terms energy: -20.974796 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -31.583866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.583866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.583866 (E_RNA) where: Base-Base interactions energy: -9.469 where: short stacking energy: -9.469 Base-Backbone interact. energy: -0.069 local terms energy: -22.045253 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -37.461820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.461820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.461820 (E_RNA) where: Base-Base interactions energy: -13.827 where: short stacking energy: -13.827 Base-Backbone interact. energy: -0.240 local terms energy: -23.393995 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -37.640146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.640146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.640146 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.000 local terms energy: -23.523793 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -41.128455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.128455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.128455 (E_RNA) where: Base-Base interactions energy: -17.873 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.001 local terms energy: -23.253818 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.774 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: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -37.234963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.234963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.234963 (E_RNA) where: Base-Base interactions energy: -17.837 where: short stacking energy: -17.837 Base-Backbone interact. energy: -0.011 local terms energy: -19.387302 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -1.670 flat angles P-C4'-P energy: -3.239 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: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -32.915566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.915566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.915566 (E_RNA) where: Base-Base interactions energy: -9.416 where: short stacking energy: -9.416 Base-Backbone interact. energy: -0.052 local terms energy: -23.447203 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.744 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: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -33.427753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.427753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.427753 (E_RNA) where: Base-Base interactions energy: -13.605 where: short stacking energy: -13.605 Base-Backbone interact. energy: -0.038 local terms energy: -19.784602 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -0.899 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: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -33.672581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.672581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.672581 (E_RNA) where: Base-Base interactions energy: -10.837 where: short stacking energy: -10.837 Base-Backbone interact. energy: -0.000 local terms energy: -22.835341 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.553 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: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -32.003953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.003953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.003953 (E_RNA) where: Base-Base interactions energy: -7.953 where: short stacking energy: -7.953 Base-Backbone interact. energy: -0.004 local terms energy: -24.046708 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -28.362787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.362787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.362787 (E_RNA) where: Base-Base interactions energy: -3.591 where: short stacking energy: -3.591 Base-Backbone interact. energy: -0.000 local terms energy: -24.771324 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.817 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: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -29.117985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.117985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.117985 (E_RNA) where: Base-Base interactions energy: -8.750 where: short stacking energy: -8.750 Base-Backbone interact. energy: -0.004 local terms energy: -20.364704 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -43.758905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.758905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.758905 (E_RNA) where: Base-Base interactions energy: -18.074 where: short stacking energy: -18.074 Base-Backbone interact. energy: -0.000 local terms energy: -25.684965 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -2.866 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: 2, replica: 4 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -40.703069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.703069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.703069 (E_RNA) where: Base-Base interactions energy: -17.100 where: short stacking energy: -17.100 Base-Backbone interact. energy: -0.000 local terms energy: -23.603139 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -2.996 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: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -45.405042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.405042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.405042 (E_RNA) where: Base-Base interactions energy: -20.898 where: short stacking energy: -17.788 Base-Backbone interact. energy: -0.001 local terms energy: -24.506467 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -34.549879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.549879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.549879 (E_RNA) where: Base-Base interactions energy: -11.548 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.045 local terms energy: -22.956418 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -37.032527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.032527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.032527 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -14.281 Base-Backbone interact. energy: -0.088 local terms energy: -22.664072 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -33.607773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.607773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.607773 (E_RNA) where: Base-Base interactions energy: -12.692 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.001 local terms energy: -20.914375 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -2.111 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: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -31.773951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773951 (E_RNA) where: Base-Base interactions energy: -9.465 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.007 local terms energy: -22.301621 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -3.845 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: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -28.833892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.833892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.833892 (E_RNA) where: Base-Base interactions energy: -11.483 where: short stacking energy: -11.483 Base-Backbone interact. energy: -0.000 local terms energy: -17.350924 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -1.101 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: 9, replica: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -28.081673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.081673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.081673 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.055 local terms energy: -19.171069 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -28.622766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622766 (E_RNA) where: Base-Base interactions energy: -7.111 where: short stacking energy: -7.111 Base-Backbone interact. energy: -0.008 local terms energy: -21.504157 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.432 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -41.144954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.144954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.144954 (E_RNA) where: Base-Base interactions energy: -14.354 where: short stacking energy: -14.354 Base-Backbone interact. energy: -0.000 local terms energy: -26.791262 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -5.685 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: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -41.704625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.704625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.704625 (E_RNA) where: Base-Base interactions energy: -16.150 where: short stacking energy: -16.150 Base-Backbone interact. energy: -0.000 local terms energy: -25.554332 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.992 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: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -37.518486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.518486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.518486 (E_RNA) where: Base-Base interactions energy: -12.570 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.006 local terms energy: -24.942648 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -38.449464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.449464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.449464 (E_RNA) where: Base-Base interactions energy: -13.779 where: short stacking energy: -13.779 Base-Backbone interact. energy: -0.003 local terms energy: -24.667494 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -3.583 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: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -33.482110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482110 (E_RNA) where: Base-Base interactions energy: -10.101 where: short stacking energy: -10.101 Base-Backbone interact. energy: -0.000 local terms energy: -23.381031 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -36.977695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.977695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.977695 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.049 local terms energy: -24.265404 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -33.195334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.195334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.195334 (E_RNA) where: Base-Base interactions energy: -10.142 where: short stacking energy: -10.142 Base-Backbone interact. energy: -0.010 local terms energy: -23.044080 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -29.368078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368078 (E_RNA) where: Base-Base interactions energy: -5.987 where: short stacking energy: -5.987 Base-Backbone interact. energy: -0.002 local terms energy: -23.379211 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -31.550662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.550662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.550662 (E_RNA) where: Base-Base interactions energy: -9.259 where: short stacking energy: -9.259 Base-Backbone interact. energy: -0.001 local terms energy: -22.290585 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.696 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: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -34.207731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.207731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.207731 (E_RNA) where: Base-Base interactions energy: -12.121 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.098 local terms energy: -21.988882 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -38.095938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.095938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.095938 (E_RNA) where: Base-Base interactions energy: -12.214 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.000 local terms energy: -25.881752 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -40.115130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.115130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.115130 (E_RNA) where: Base-Base interactions energy: -14.967 where: short stacking energy: -14.967 Base-Backbone interact. energy: -0.001 local terms energy: -25.147638 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -39.085471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.085471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.085471 (E_RNA) where: Base-Base interactions energy: -14.029 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.003 local terms energy: -25.053091 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -33.439611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.439611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.439611 (E_RNA) where: Base-Base interactions energy: -14.913 where: short stacking energy: -14.913 Base-Backbone interact. energy: -0.013 local terms energy: -18.513446 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -2.783 flat angles P-C4'-P energy: -4.108 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: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -38.498836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.498836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.498836 (E_RNA) where: Base-Base interactions energy: -14.500 where: short stacking energy: -14.500 Base-Backbone interact. energy: -0.000 local terms energy: -23.998771 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -2.058 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: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -34.438063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.438063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.438063 (E_RNA) where: Base-Base interactions energy: -10.072 where: short stacking energy: -10.072 Base-Backbone interact. energy: -0.071 local terms energy: -24.294971 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -4.680 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: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -31.867622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.867622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.867622 (E_RNA) where: Base-Base interactions energy: -9.939 where: short stacking energy: -9.939 Base-Backbone interact. energy: -0.073 local terms energy: -21.855916 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.576 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: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -30.886322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.886322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.886322 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.000 local terms energy: -22.747637 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.583 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: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -34.546447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.546447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.546447 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.027 local terms energy: -24.654626 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.470 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: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -29.372655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.372655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.372655 (E_RNA) where: Base-Base interactions energy: -7.303 where: short stacking energy: -7.303 Base-Backbone interact. energy: -0.082 local terms energy: -21.987474 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.059 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: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -43.719052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.719052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.719052 (E_RNA) where: Base-Base interactions energy: -16.429 where: short stacking energy: -16.429 Base-Backbone interact. energy: -0.000 local terms energy: -27.289370 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -4.353 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: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -41.337853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.337853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.337853 (E_RNA) where: Base-Base interactions energy: -15.331 where: short stacking energy: -15.331 Base-Backbone interact. energy: -0.073 local terms energy: -25.933671 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -37.764552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.764552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.764552 (E_RNA) where: Base-Base interactions energy: -15.179 where: short stacking energy: -15.179 Base-Backbone interact. energy: -0.000 local terms energy: -22.585005 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -35.450767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.450767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.450767 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.001 local terms energy: -23.269373 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -5.431 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: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -35.176463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.176463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.176463 (E_RNA) where: Base-Base interactions energy: -14.768 where: short stacking energy: -14.768 Base-Backbone interact. energy: -0.029 local terms energy: -20.379275 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -1.915 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: 6, replica: 10 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -33.002357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.002357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.002357 (E_RNA) where: Base-Base interactions energy: -8.481 where: short stacking energy: -8.481 Base-Backbone interact. energy: -0.004 local terms energy: -24.517398 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -29.029500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.029500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.029500 (E_RNA) where: Base-Base interactions energy: -7.370 where: short stacking energy: -7.370 Base-Backbone interact. energy: -0.000 local terms energy: -21.659154 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -29.902572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.902572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.902572 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -8.094 Base-Backbone interact. energy: -0.004 local terms energy: -21.805182 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -3.619 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -29.712369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712369 (E_RNA) where: Base-Base interactions energy: -9.639 where: short stacking energy: -9.639 Base-Backbone interact. energy: -0.032 local terms energy: -20.041687 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.562 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: 10, replica: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -32.787362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.787362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.787362 (E_RNA) where: Base-Base interactions energy: -11.476 where: short stacking energy: -11.476 Base-Backbone interact. energy: -0.277 local terms energy: -21.033845 where: bonds (distance) C4'-P energy: -3.154 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -41.549471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.549471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.549471 (E_RNA) where: Base-Base interactions energy: -17.110 where: short stacking energy: -17.110 Base-Backbone interact. energy: -0.710 local terms energy: -23.728809 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -37.695422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.695422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.695422 (E_RNA) where: Base-Base interactions energy: -9.748 where: short stacking energy: -9.748 Base-Backbone interact. energy: -0.000 local terms energy: -27.947193 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -39.739352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.739352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.739352 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.003 local terms energy: -27.565480 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.728 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: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -32.688739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.688739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.688739 (E_RNA) where: Base-Base interactions energy: -14.463 where: short stacking energy: -14.463 Base-Backbone interact. energy: -0.001 local terms energy: -18.225090 where: bonds (distance) C4'-P energy: -3.427 bonds (distance) P-C4' energy: -3.380 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -36.748823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.748823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.748823 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.023 local terms energy: -22.611324 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -29.213363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.213363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.213363 (E_RNA) where: Base-Base interactions energy: -10.982 where: short stacking energy: -10.982 Base-Backbone interact. energy: 1.731 local terms energy: -19.962267 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -5.145 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: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -32.531323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.531323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.531323 (E_RNA) where: Base-Base interactions energy: -9.467 where: short stacking energy: -9.467 Base-Backbone interact. energy: -0.001 local terms energy: -23.063354 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -3.447 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -31.080049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.080049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.080049 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.001 local terms energy: -20.142778 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -3.808 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.759 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: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -36.255275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.255275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.255275 (E_RNA) where: Base-Base interactions energy: -12.638 where: short stacking energy: -12.638 Base-Backbone interact. energy: -0.002 local terms energy: -23.614856 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -1.211 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -28.599625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.599625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.599625 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.011 local terms energy: -19.733145 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -3.824 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -4.889 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: 1, replica: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -41.089080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.089080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.089080 (E_RNA) where: Base-Base interactions energy: -15.103 where: short stacking energy: -15.103 Base-Backbone interact. energy: -0.000 local terms energy: -25.986141 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -1.667 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -39.756433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.756433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.756433 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.000 local terms energy: -26.875684 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -41.720107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.720107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.720107 (E_RNA) where: Base-Base interactions energy: -17.813 where: short stacking energy: -17.813 Base-Backbone interact. energy: -0.000 local terms energy: -23.907459 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.229 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: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -39.446790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.446790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.446790 (E_RNA) where: Base-Base interactions energy: -14.367 where: short stacking energy: -14.367 Base-Backbone interact. energy: -0.000 local terms energy: -25.079454 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -32.859877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.859877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.859877 (E_RNA) where: Base-Base interactions energy: -8.706 where: short stacking energy: -8.706 Base-Backbone interact. energy: -0.000 local terms energy: -24.153994 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.467 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: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -34.966113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.966113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.966113 (E_RNA) where: Base-Base interactions energy: -12.317 where: short stacking energy: -12.317 Base-Backbone interact. energy: -0.005 local terms energy: -22.644515 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.066 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -29.833742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.833742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.833742 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.009 local terms energy: -20.548729 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.443 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: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -35.507559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.507559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.507559 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.000 local terms energy: -23.484122 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.233 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: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -32.451408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.451408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.451408 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.197 local terms energy: -20.869697 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -4.253 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: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -30.925374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.925374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.925374 (E_RNA) where: Base-Base interactions energy: -8.651 where: short stacking energy: -8.651 Base-Backbone interact. energy: -0.000 local terms energy: -22.274459 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -41.576669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.576669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.576669 (E_RNA) where: Base-Base interactions energy: -17.181 where: short stacking energy: -17.181 Base-Backbone interact. energy: -0.005 local terms energy: -24.390933 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -34.633044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.633044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.633044 (E_RNA) where: Base-Base interactions energy: -13.624 where: short stacking energy: -13.624 Base-Backbone interact. energy: -0.028 local terms energy: -20.980915 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -32.057832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.057832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.057832 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -9.844 Base-Backbone interact. energy: -0.021 local terms energy: -22.192484 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -31.394847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.394847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.394847 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: 0.088 local terms energy: -21.477546 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.587 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: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -40.318817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.318817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.318817 (E_RNA) where: Base-Base interactions energy: -15.972 where: short stacking energy: -15.972 Base-Backbone interact. energy: -0.000 local terms energy: -24.346856 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.681 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.612 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: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -31.344435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.344435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.344435 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.000 local terms energy: -19.590273 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -33.585631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.585631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.585631 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.000 local terms energy: -20.090168 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.122 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -30.690770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.690770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.690770 (E_RNA) where: Base-Base interactions energy: -10.541 where: short stacking energy: -10.541 Base-Backbone interact. energy: -0.000 local terms energy: -20.149762 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -2.714 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -30.906492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.906492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.906492 (E_RNA) where: Base-Base interactions energy: -9.318 where: short stacking energy: -9.318 Base-Backbone interact. energy: -0.006 local terms energy: -21.582718 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -29.199242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.199242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.199242 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.000 local terms energy: -19.706078 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -0.749 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: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -41.493024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.493024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.493024 (E_RNA) where: Base-Base interactions energy: -15.429 where: short stacking energy: -15.429 Base-Backbone interact. energy: -0.003 local terms energy: -26.061658 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -32.608879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608879 (E_RNA) where: Base-Base interactions energy: -11.422 where: short stacking energy: -11.422 Base-Backbone interact. energy: -0.002 local terms energy: -21.185468 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -1.512 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: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -36.972348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.972348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.972348 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.000 local terms energy: -24.236446 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.433 flat angles P-C4'-P energy: -2.115 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: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -35.317442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.317442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.317442 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.000 local terms energy: -23.737224 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -3.398 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: 5, replica: 6 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -37.577395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.577395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.577395 (E_RNA) where: Base-Base interactions energy: -16.846 where: short stacking energy: -16.846 Base-Backbone interact. energy: -0.003 local terms energy: -20.728917 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.481 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -2.790 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: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -36.963302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.963302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.963302 (E_RNA) where: Base-Base interactions energy: -12.993 where: short stacking energy: -12.993 Base-Backbone interact. energy: -0.001 local terms energy: -23.969478 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -4.011 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: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -31.437180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.437180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.437180 (E_RNA) where: Base-Base interactions energy: -11.288 where: short stacking energy: -11.288 Base-Backbone interact. energy: 1.508 local terms energy: -21.657358 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -4.360 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: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -28.717387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.717387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.717387 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.000 local terms energy: -18.403147 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -28.646490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.646490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.646490 (E_RNA) where: Base-Base interactions energy: -7.104 where: short stacking energy: -7.104 Base-Backbone interact. energy: -0.031 local terms energy: -21.510854 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -29.925435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.925435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.925435 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -0.000 local terms energy: -21.507273 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -1.752 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: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -40.089670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.089670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.089670 (E_RNA) where: Base-Base interactions energy: -14.036 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.000 local terms energy: -26.053765 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -38.940064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.940064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.940064 (E_RNA) where: Base-Base interactions energy: -13.167 where: short stacking energy: -13.167 Base-Backbone interact. energy: -0.000 local terms energy: -25.772608 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -37.576777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.576777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.576777 (E_RNA) where: Base-Base interactions energy: -13.101 where: short stacking energy: -13.101 Base-Backbone interact. energy: -0.104 local terms energy: -24.371598 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -34.447060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.447060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.447060 (E_RNA) where: Base-Base interactions energy: -12.367 where: short stacking energy: -12.367 Base-Backbone interact. energy: -0.397 local terms energy: -21.683592 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.694 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: 5, replica: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -34.627804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.627804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.627804 (E_RNA) where: Base-Base interactions energy: -9.456 where: short stacking energy: -9.456 Base-Backbone interact. energy: -0.009 local terms energy: -25.162858 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.693 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: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -38.308456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.308456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.308456 (E_RNA) where: Base-Base interactions energy: -12.533 where: short stacking energy: -12.533 Base-Backbone interact. energy: -0.058 local terms energy: -25.716719 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -4.954 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: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -27.502137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.502137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.502137 (E_RNA) where: Base-Base interactions energy: -6.127 where: short stacking energy: -6.127 Base-Backbone interact. energy: -0.140 local terms energy: -21.236065 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: 0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -32.751227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.751227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.751227 (E_RNA) where: Base-Base interactions energy: -9.996 where: short stacking energy: -9.996 Base-Backbone interact. energy: -0.000 local terms energy: -22.755688 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -30.403365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.403365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.403365 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.001 local terms energy: -17.641588 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -3.877 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -29.567611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.567611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.567611 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.003 local terms energy: -18.712794 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -40.856043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.856043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.856043 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -29.695699 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.438 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: 2, replica: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -39.764794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.764794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.764794 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.057 local terms energy: -25.550644 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.611 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -4.737 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: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -34.453614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.453614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.453614 (E_RNA) where: Base-Base interactions energy: -12.682 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.010 local terms energy: -21.761546 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -39.421391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.421391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.421391 (E_RNA) where: Base-Base interactions energy: -16.233 where: short stacking energy: -16.233 Base-Backbone interact. energy: -0.000 local terms energy: -23.188388 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -2.611 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: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -34.563389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.563389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.563389 (E_RNA) where: Base-Base interactions energy: -12.933 where: short stacking energy: -12.933 Base-Backbone interact. energy: -0.025 local terms energy: -21.605148 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -34.817509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.817509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.817509 (E_RNA) where: Base-Base interactions energy: -12.343 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.000 local terms energy: -22.474492 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -3.618 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: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -32.828706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.828706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.828706 (E_RNA) where: Base-Base interactions energy: -6.551 where: short stacking energy: -6.551 Base-Backbone interact. energy: -0.000 local terms energy: -26.277228 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -2.612 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: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -28.316437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316437 (E_RNA) where: Base-Base interactions energy: -4.802 where: short stacking energy: -4.802 Base-Backbone interact. energy: -0.232 local terms energy: -23.282681 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.549 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.284 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: 9, replica: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -29.344358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.344358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.344358 (E_RNA) where: Base-Base interactions energy: -9.687 where: short stacking energy: -9.687 Base-Backbone interact. energy: -0.084 local terms energy: -19.573431 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -31.894655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.894655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.894655 (E_RNA) where: Base-Base interactions energy: -12.431 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.000 local terms energy: -19.464106 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -2.244 flat angles P-C4'-P energy: -2.045 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: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -36.992847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.992847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.992847 (E_RNA) where: Base-Base interactions energy: -14.569 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.007 local terms energy: -22.416790 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.582 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -4.792 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: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -39.751396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.751396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.751396 (E_RNA) where: Base-Base interactions energy: -17.550 where: short stacking energy: -17.550 Base-Backbone interact. energy: -0.000 local terms energy: -22.200759 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -34.909258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.909258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.909258 (E_RNA) where: Base-Base interactions energy: -12.517 where: short stacking energy: -12.517 Base-Backbone interact. energy: -0.070 local terms energy: -22.322084 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -4.811 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: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -28.505816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.505816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.505816 (E_RNA) where: Base-Base interactions energy: -7.865 where: short stacking energy: -7.865 Base-Backbone interact. energy: -1.181 local terms energy: -19.459652 where: bonds (distance) C4'-P energy: -4.396 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -35.676784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.676784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.676784 (E_RNA) where: Base-Base interactions energy: -14.054 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.001 local terms energy: -21.621469 where: bonds (distance) C4'-P energy: -2.910 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.509 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: 6, replica: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -35.606580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.606580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.606580 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -11.993 Base-Backbone interact. energy: -0.000 local terms energy: -23.613005 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -5.148 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: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -30.077036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.077036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.077036 (E_RNA) where: Base-Base interactions energy: -9.188 where: short stacking energy: -9.188 Base-Backbone interact. energy: -0.014 local terms energy: -20.875473 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -37.867400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.867400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.867400 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.001 local terms energy: -25.031267 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -31.481368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.481368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.481368 (E_RNA) where: Base-Base interactions energy: -9.729 where: short stacking energy: -9.729 Base-Backbone interact. energy: -0.056 local terms energy: -21.696550 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -31.990941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.990941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.990941 (E_RNA) where: Base-Base interactions energy: -14.450 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.040 local terms energy: -17.501191 where: bonds (distance) C4'-P energy: -2.118 bonds (distance) P-C4' energy: -4.883 flat angles C4'-P-C4' energy: -1.548 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -37.986026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.986026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.986026 (E_RNA) where: Base-Base interactions energy: -13.382 where: short stacking energy: -13.382 Base-Backbone interact. energy: -0.050 local terms energy: -24.554483 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -3.702 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: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -38.754703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.754703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.754703 (E_RNA) where: Base-Base interactions energy: -13.647 where: short stacking energy: -13.647 Base-Backbone interact. energy: -0.000 local terms energy: -25.108026 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -34.463575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463575 (E_RNA) where: Base-Base interactions energy: -12.952 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.001 local terms energy: -21.510542 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -37.400919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.400919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.400919 (E_RNA) where: Base-Base interactions energy: -14.389 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.000 local terms energy: -23.011777 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -5.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -34.053011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.053011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.053011 (E_RNA) where: Base-Base interactions energy: -14.302 where: short stacking energy: -14.302 Base-Backbone interact. energy: -0.000 local terms energy: -19.750994 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -1.278 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -4.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -30.874902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874902 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -20.489316 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -32.670703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.670703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.670703 (E_RNA) where: Base-Base interactions energy: -14.909 where: short stacking energy: -14.909 Base-Backbone interact. energy: -0.000 local terms energy: -17.761446 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -1.712 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -2.004 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -29.995420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.995420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.995420 (E_RNA) where: Base-Base interactions energy: -9.539 where: short stacking energy: -9.539 Base-Backbone interact. energy: -0.193 local terms energy: -20.264114 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -4.361 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: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -29.822133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.822133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.822133 (E_RNA) where: Base-Base interactions energy: -7.329 where: short stacking energy: -6.624 Base-Backbone interact. energy: -0.037 local terms energy: -22.456075 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -3.757 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: 287 Temperature: 1.350000 Total energy: -33.007977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.007977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.007977 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.021 local terms energy: -20.816365 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -4.518 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: 288 Temperature: 0.900000 Total energy: -35.397804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.397804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.397804 (E_RNA) where: Base-Base interactions energy: -13.962 where: short stacking energy: -13.962 Base-Backbone interact. energy: -0.002 local terms energy: -21.433802 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -4.550 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: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -31.962040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.962040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.962040 (E_RNA) where: Base-Base interactions energy: -9.549 where: short stacking energy: -9.549 Base-Backbone interact. energy: -0.143 local terms energy: -22.270194 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -35.064968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064968 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -11.458 Base-Backbone interact. energy: -0.560 local terms energy: -22.229385 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -4.809 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: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -38.781851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.781851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.781851 (E_RNA) where: Base-Base interactions energy: -14.181 where: short stacking energy: -14.181 Base-Backbone interact. energy: -0.026 local terms energy: -24.574869 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -33.034219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.034219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.034219 (E_RNA) where: Base-Base interactions energy: -9.002 where: short stacking energy: -9.002 Base-Backbone interact. energy: -0.000 local terms energy: -24.031759 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.779 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: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -34.251124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.251124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.251124 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -12.963 Base-Backbone interact. energy: -0.002 local terms energy: -21.286052 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -32.906815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.906815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.906815 (E_RNA) where: Base-Base interactions energy: -12.640 where: short stacking energy: -12.640 Base-Backbone interact. energy: -0.015 local terms energy: -20.252188 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -30.141929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.141929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.141929 (E_RNA) where: Base-Base interactions energy: -12.492 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.000 local terms energy: -17.649849 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -4.125 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -2.806 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: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -32.124197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.124197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.124197 (E_RNA) where: Base-Base interactions energy: -13.213 where: short stacking energy: -13.213 Base-Backbone interact. energy: 0.039 local terms energy: -18.950770 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -1.164 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -35.295725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295725 (E_RNA) where: Base-Base interactions energy: -14.374 where: short stacking energy: -14.374 Base-Backbone interact. energy: -0.035 local terms energy: -20.886940 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -0.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -40.140897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.140897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.140897 (E_RNA) where: Base-Base interactions energy: -14.349 where: short stacking energy: -14.349 Base-Backbone interact. energy: -0.003 local terms energy: -25.789554 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -4.090 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: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -38.284530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.284530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.284530 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.000 local terms energy: -25.110049 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -35.032429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032429 (E_RNA) where: Base-Base interactions energy: -14.927 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.686 local terms energy: -19.419794 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -1.951 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: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -37.877634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.877634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.877634 (E_RNA) where: Base-Base interactions energy: -13.638 where: short stacking energy: -13.638 Base-Backbone interact. energy: -0.016 local terms energy: -24.223880 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -3.801 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -32.630582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.630582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.630582 (E_RNA) where: Base-Base interactions energy: -8.430 where: short stacking energy: -8.430 Base-Backbone interact. energy: -0.000 local terms energy: -24.200445 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -35.308547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.308547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.308547 (E_RNA) where: Base-Base interactions energy: -12.432 where: short stacking energy: -12.432 Base-Backbone interact. energy: -0.001 local terms energy: -22.875250 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -35.031197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.031197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.031197 (E_RNA) where: Base-Base interactions energy: -12.212 where: short stacking energy: -12.212 Base-Backbone interact. energy: -0.000 local terms energy: -22.819065 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -2.490 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: 8, replica: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -30.910922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910922 (E_RNA) where: Base-Base interactions energy: -12.782 where: short stacking energy: -12.782 Base-Backbone interact. energy: 1.849 local terms energy: -19.977902 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -3.497 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: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -30.215566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.215566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.215566 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.000 local terms energy: -22.373772 where: bonds (distance) C4'-P energy: -2.881 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -4.105 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: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -30.109080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.109080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.109080 (E_RNA) where: Base-Base interactions energy: -10.307 where: short stacking energy: -10.307 Base-Backbone interact. energy: -0.038 local terms energy: -19.763765 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -0.696 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -44.997730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.997730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.997730 (E_RNA) where: Base-Base interactions energy: -18.760 where: short stacking energy: -18.760 Base-Backbone interact. energy: -0.000 local terms energy: -26.238041 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.663 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -38.051309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.051309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.051309 (E_RNA) where: Base-Base interactions energy: -11.891 where: short stacking energy: -11.891 Base-Backbone interact. energy: -0.005 local terms energy: -26.155844 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -42.402044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.402044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.402044 (E_RNA) where: Base-Base interactions energy: -15.695 where: short stacking energy: -15.695 Base-Backbone interact. energy: -0.000 local terms energy: -26.706992 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.658 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: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -36.008564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.008564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.008564 (E_RNA) where: Base-Base interactions energy: -12.210 where: short stacking energy: -12.210 Base-Backbone interact. energy: -0.005 local terms energy: -23.793703 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -32.682284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.682284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.682284 (E_RNA) where: Base-Base interactions energy: -10.455 where: short stacking energy: -10.455 Base-Backbone interact. energy: -0.000 local terms energy: -22.226898 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -32.054640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.054640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.054640 (E_RNA) where: Base-Base interactions energy: -9.726 where: short stacking energy: -9.726 Base-Backbone interact. energy: -0.002 local terms energy: -22.326604 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -31.782282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.782282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.782282 (E_RNA) where: Base-Base interactions energy: -10.311 where: short stacking energy: -10.311 Base-Backbone interact. energy: 0.056 local terms energy: -21.526795 where: bonds (distance) C4'-P energy: -3.452 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -3.502 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: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -36.343930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.343930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.343930 (E_RNA) where: Base-Base interactions energy: -12.847 where: short stacking energy: -12.847 Base-Backbone interact. energy: -0.000 local terms energy: -23.496834 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -34.422552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422552 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.001 local terms energy: -25.821071 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -4.356 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: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -30.771525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.771525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.771525 (E_RNA) where: Base-Base interactions energy: -8.278 where: short stacking energy: -8.278 Base-Backbone interact. energy: -0.004 local terms energy: -22.489236 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.731 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: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -35.832530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.832530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.832530 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.087 local terms energy: -23.777156 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.136 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: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -36.854776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.854776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.854776 (E_RNA) where: Base-Base interactions energy: -12.099 where: short stacking energy: -12.099 Base-Backbone interact. energy: -0.000 local terms energy: -24.755444 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.495 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: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -34.238773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.238773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.238773 (E_RNA) where: Base-Base interactions energy: -12.893 where: short stacking energy: -12.893 Base-Backbone interact. energy: -0.087 local terms energy: -21.259390 where: bonds (distance) C4'-P energy: -2.764 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.443 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: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -35.362710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.362710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.362710 (E_RNA) where: Base-Base interactions energy: -13.338 where: short stacking energy: -13.338 Base-Backbone interact. energy: 0.579 local terms energy: -22.603645 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -4.828 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: 5, replica: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -37.709170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.709170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.709170 (E_RNA) where: Base-Base interactions energy: -10.842 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.001 local terms energy: -26.865750 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -31.338925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.338925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.338925 (E_RNA) where: Base-Base interactions energy: -9.922 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.000 local terms energy: -21.416371 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -31.303900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.303900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.303900 (E_RNA) where: Base-Base interactions energy: -8.881 where: short stacking energy: -8.881 Base-Backbone interact. energy: -0.004 local terms energy: -22.419590 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -4.265 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: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -30.448584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.448584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.448584 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.000 local terms energy: -20.350947 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -1.397 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -30.466420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.466420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.466420 (E_RNA) where: Base-Base interactions energy: -12.921 where: short stacking energy: -12.921 Base-Backbone interact. energy: -0.002 local terms energy: -17.544080 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -3.622 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -2.484 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: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -29.263104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.263104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.263104 (E_RNA) where: Base-Base interactions energy: -8.682 where: short stacking energy: -8.682 Base-Backbone interact. energy: -0.001 local terms energy: -20.580103 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.488 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: 7 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -42.369446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.369446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.369446 (E_RNA) where: Base-Base interactions energy: -17.535 where: short stacking energy: -17.535 Base-Backbone interact. energy: -0.014 local terms energy: -24.820834 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -41.342631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.342631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.342631 (E_RNA) where: Base-Base interactions energy: -18.781 where: short stacking energy: -18.781 Base-Backbone interact. energy: -0.006 local terms energy: -22.555213 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -39.358303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.358303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.358303 (E_RNA) where: Base-Base interactions energy: -13.494 where: short stacking energy: -13.494 Base-Backbone interact. energy: -0.136 local terms energy: -25.728243 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -5.022 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: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -41.150752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.150752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.150752 (E_RNA) where: Base-Base interactions energy: -16.919 where: short stacking energy: -16.919 Base-Backbone interact. energy: -0.000 local terms energy: -24.231303 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -2.418 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: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -34.482528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.482528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.482528 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -12.645 Base-Backbone interact. energy: -0.001 local terms energy: -21.837192 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -37.811467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.811467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.811467 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.003 local terms energy: -23.664614 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -31.332249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.332249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.332249 (E_RNA) where: Base-Base interactions energy: -8.862 where: short stacking energy: -8.862 Base-Backbone interact. energy: -0.004 local terms energy: -22.466044 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -31.206201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.206201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.206201 (E_RNA) where: Base-Base interactions energy: -10.894 where: short stacking energy: -10.894 Base-Backbone interact. energy: -0.002 local terms energy: -20.309607 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -1.484 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -29.032993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.032993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.032993 (E_RNA) where: Base-Base interactions energy: -8.049 where: short stacking energy: -8.049 Base-Backbone interact. energy: -0.002 local terms energy: -20.981473 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: 0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -28.097929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.097929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.097929 (E_RNA) where: Base-Base interactions energy: -5.437 where: short stacking energy: -5.437 Base-Backbone interact. energy: -0.001 local terms energy: -22.659823 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -2.349 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: 1, replica: 7 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -36.862199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.862199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.862199 (E_RNA) where: Base-Base interactions energy: -9.523 where: short stacking energy: -9.523 Base-Backbone interact. energy: -0.000 local terms energy: -27.339067 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -39.433060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.433060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.433060 (E_RNA) where: Base-Base interactions energy: -12.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: 0.208 local terms energy: -27.479885 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.990 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: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -41.632974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.632974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.632974 (E_RNA) where: Base-Base interactions energy: -13.508 where: short stacking energy: -13.508 Base-Backbone interact. energy: -0.002 local terms energy: -28.123351 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -37.201905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.201905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.201905 (E_RNA) where: Base-Base interactions energy: -14.943 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.000 local terms energy: -22.258796 where: bonds (distance) C4'-P energy: -4.512 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -30.490030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.490030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.490030 (E_RNA) where: Base-Base interactions energy: -9.922 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.029 local terms energy: -20.539181 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -34.747398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.747398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.747398 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.289 Base-Backbone interact. energy: -0.038 local terms energy: -23.420470 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -3.998 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: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -31.242652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.242652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.242652 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.091 local terms energy: -21.209314 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.159 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: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -31.913704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.913704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.913704 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.126 local terms energy: -20.983402 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.278 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: 0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -27.113375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.113375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.113375 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -7.476 Base-Backbone interact. energy: -0.060 local terms energy: -19.577794 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: 0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -29.492107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.492107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.492107 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.979 Base-Backbone interact. energy: -0.017 local terms energy: -21.496255 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.305 flat angles P-C4'-P energy: -3.410 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: 294 Temperature: 0.900000 Total energy: -39.918905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.918905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.918905 (E_RNA) where: Base-Base interactions energy: -14.630 where: short stacking energy: -14.630 Base-Backbone interact. energy: -0.099 local terms energy: -25.189136 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -4.786 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: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -37.535005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.535005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.535005 (E_RNA) where: Base-Base interactions energy: -13.014 where: short stacking energy: -13.014 Base-Backbone interact. energy: -0.000 local terms energy: -24.520827 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.035 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: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -34.863521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.863521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.863521 (E_RNA) where: Base-Base interactions energy: -13.228 where: short stacking energy: -13.228 Base-Backbone interact. energy: -0.004 local terms energy: -21.631691 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.736 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -31.191211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.191211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.191211 (E_RNA) where: Base-Base interactions energy: -8.163 where: short stacking energy: -8.163 Base-Backbone interact. energy: -0.035 local terms energy: -22.993885 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.123 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: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -35.998561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.998561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.998561 (E_RNA) where: Base-Base interactions energy: -14.247 where: short stacking energy: -14.349 Base-Backbone interact. energy: -0.290 local terms energy: -21.460629 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -1.202 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: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -30.760093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.760093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.760093 (E_RNA) where: Base-Base interactions energy: -12.151 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.000 local terms energy: -18.609414 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -3.554 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -34.615657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.615657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.615657 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.014 local terms energy: -21.805094 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -1.800 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -30.722270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.722270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.722270 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.457 Base-Backbone interact. energy: 1.489 local terms energy: -19.754061 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -3.485 flat angles C4'-P-C4' energy: -3.015 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -34.137889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.137889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.137889 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.003 local terms energy: -24.521025 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -3.498 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: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -31.002025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.002025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.002025 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.097 local terms energy: -22.152995 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -37.152098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.152098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.152098 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.000 local terms energy: -26.626096 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -39.926414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.926414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.926414 (E_RNA) where: Base-Base interactions energy: -16.731 where: short stacking energy: -16.731 Base-Backbone interact. energy: -0.000 local terms energy: -23.194783 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -35.896672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.896672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.896672 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.052 local terms energy: -24.019381 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -32.054195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.054195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.054195 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.000 local terms energy: -19.325659 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: 0.076 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -30.757239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.757239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.757239 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.007 local terms energy: -19.405456 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -1.500 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: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -34.891097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.891097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.891097 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.004 local terms energy: -18.683170 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -3.953 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: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -38.608148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.608148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.608148 (E_RNA) where: Base-Base interactions energy: -12.810 where: short stacking energy: -12.810 Base-Backbone interact. energy: -0.133 local terms energy: -25.664825 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.453 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: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -35.764297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764297 (E_RNA) where: Base-Base interactions energy: -13.240 where: short stacking energy: -13.240 Base-Backbone interact. energy: -0.087 local terms energy: -22.437807 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -30.401036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.401036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.401036 (E_RNA) where: Base-Base interactions energy: -9.976 where: short stacking energy: -9.976 Base-Backbone interact. energy: -0.000 local terms energy: -20.425002 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -0.118 tors. eta vs tors. theta energy: -1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -25.318047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.318047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.318047 (E_RNA) where: Base-Base interactions energy: -5.295 where: short stacking energy: -5.295 Base-Backbone interact. energy: -0.023 local terms energy: -20.000645 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.949 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: 1, replica: 7 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -36.395041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.395041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.395041 (E_RNA) where: Base-Base interactions energy: -10.562 where: short stacking energy: -10.562 Base-Backbone interact. energy: -0.001 local terms energy: -25.831744 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -5.325 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: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -38.347955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.347955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.347955 (E_RNA) where: Base-Base interactions energy: -14.882 where: short stacking energy: -14.882 Base-Backbone interact. energy: -0.001 local terms energy: -23.464276 where: bonds (distance) C4'-P energy: -2.679 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -5.962 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: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -36.003751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.003751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.003751 (E_RNA) where: Base-Base interactions energy: -13.101 where: short stacking energy: -13.101 Base-Backbone interact. energy: -0.001 local terms energy: -22.902133 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -3.844 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: 296 Temperature: 1.050000 Total energy: -40.011057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.011057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.011057 (E_RNA) where: Base-Base interactions energy: -18.963 where: short stacking energy: -18.926 Base-Backbone interact. energy: -0.001 local terms energy: -21.046499 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -3.470 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -4.474 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: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -31.322173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.322173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.322173 (E_RNA) where: Base-Base interactions energy: -12.439 where: short stacking energy: -12.439 Base-Backbone interact. energy: -0.002 local terms energy: -18.882155 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: 0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -37.673737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.673737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.673737 (E_RNA) where: Base-Base interactions energy: -15.415 where: short stacking energy: -15.415 Base-Backbone interact. energy: -0.002 local terms energy: -22.257252 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.240 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -32.490726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.490726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.490726 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.098 local terms energy: -20.323236 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -35.104462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.104462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.104462 (E_RNA) where: Base-Base interactions energy: -11.594 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.070 local terms energy: -23.440189 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -29.296299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.296299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.296299 (E_RNA) where: Base-Base interactions energy: -9.908 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.113 local terms energy: -19.274965 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -2.799 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: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -31.992185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.992185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.992185 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.001 local terms energy: -21.894909 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.363 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -41.478478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.478478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.478478 (E_RNA) where: Base-Base interactions energy: -13.852 where: short stacking energy: -13.852 Base-Backbone interact. energy: -0.001 local terms energy: -27.625191 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -37.418844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.418844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.418844 (E_RNA) where: Base-Base interactions energy: -11.843 where: short stacking energy: -12.143 Base-Backbone interact. energy: -0.002 local terms energy: -25.573838 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -37.647973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647973 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -16.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.547050 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -1.912 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: 4, replica: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -36.967632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.967632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.967632 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.000 local terms energy: -24.243717 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -38.352374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.352374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.352374 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.001 local terms energy: -26.423291 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -34.183477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.183477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.183477 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.003 local terms energy: -22.507113 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -2.752 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: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -29.779696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.779696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.779696 (E_RNA) where: Base-Base interactions energy: -8.765 where: short stacking energy: -8.765 Base-Backbone interact. energy: -0.003 local terms energy: -21.011658 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -3.283 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: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -28.775223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.775223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.775223 (E_RNA) where: Base-Base interactions energy: -5.717 where: short stacking energy: -5.717 Base-Backbone interact. energy: -0.003 local terms energy: -23.055452 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.270 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: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -31.072476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.072476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.072476 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.020 local terms energy: -18.125614 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -1.003 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: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -30.772981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.772981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.772981 (E_RNA) where: Base-Base interactions energy: -9.355 where: short stacking energy: -9.355 Base-Backbone interact. energy: -0.048 local terms energy: -21.370626 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -3.532 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: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -36.519966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.519966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.519966 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.000 local terms energy: -25.768682 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.659 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -37.347768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.347768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.347768 (E_RNA) where: Base-Base interactions energy: -13.038 where: short stacking energy: -13.038 Base-Backbone interact. energy: -0.007 local terms energy: -24.302849 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -40.958621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.958621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.958621 (E_RNA) where: Base-Base interactions energy: -17.692 where: short stacking energy: -17.692 Base-Backbone interact. energy: -0.001 local terms energy: -23.265573 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -33.438145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.438145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.438145 (E_RNA) where: Base-Base interactions energy: -11.340 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.000 local terms energy: -22.097652 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -2.339 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: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -32.780114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.780114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.780114 (E_RNA) where: Base-Base interactions energy: -12.337 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.052 local terms energy: -20.390866 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -29.292184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.292184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.292184 (E_RNA) where: Base-Base interactions energy: -8.425 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.017 local terms energy: -20.850983 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: 0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -37.884446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.884446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.884446 (E_RNA) where: Base-Base interactions energy: -15.935 where: short stacking energy: -15.935 Base-Backbone interact. energy: -0.057 local terms energy: -21.892801 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -32.603735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.603735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.603735 (E_RNA) where: Base-Base interactions energy: -12.853 where: short stacking energy: -12.853 Base-Backbone interact. energy: -0.018 local terms energy: -19.732766 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -34.283781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.283781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.283781 (E_RNA) where: Base-Base interactions energy: -13.065 where: short stacking energy: -13.065 Base-Backbone interact. energy: -0.000 local terms energy: -21.218291 where: bonds (distance) C4'-P energy: -2.040 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -1.790 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: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -28.416608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.416608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.416608 (E_RNA) where: Base-Base interactions energy: -9.383 where: short stacking energy: -9.383 Base-Backbone interact. energy: -1.074 local terms energy: -17.959516 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -2.052 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -45.258271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.258271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.258271 (E_RNA) where: Base-Base interactions energy: -16.978 where: short stacking energy: -16.978 Base-Backbone interact. energy: -0.000 local terms energy: -28.280699 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.216 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: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -40.022364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.022364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.022364 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.001 local terms energy: -27.585531 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -35.964643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.964643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.964643 (E_RNA) where: Base-Base interactions energy: -13.279 where: short stacking energy: -13.279 Base-Backbone interact. energy: -0.040 local terms energy: -22.645290 where: bonds (distance) C4'-P energy: -2.670 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -32.904564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.904564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.904564 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: 0.537 local terms energy: -23.743464 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -4.531 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: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -34.039635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.039635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.039635 (E_RNA) where: Base-Base interactions energy: -12.974 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.010 local terms energy: -21.055601 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -3.056 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: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -32.390464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.390464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.390464 (E_RNA) where: Base-Base interactions energy: -14.243 where: short stacking energy: -14.485 Base-Backbone interact. energy: -0.027 local terms energy: -18.120045 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -2.776 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: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -35.769783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.769783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.769783 (E_RNA) where: Base-Base interactions energy: -12.198 where: short stacking energy: -12.198 Base-Backbone interact. energy: -0.000 local terms energy: -23.571515 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -2.847 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: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -31.773340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773340 (E_RNA) where: Base-Base interactions energy: -5.977 where: short stacking energy: -5.977 Base-Backbone interact. energy: -0.000 local terms energy: -25.796065 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -5.146 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: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -29.266163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.266163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.266163 (E_RNA) where: Base-Base interactions energy: -8.774 where: short stacking energy: -8.774 Base-Backbone interact. energy: -0.077 local terms energy: -20.415084 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -26.718185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.718185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.718185 (E_RNA) where: Base-Base interactions energy: -5.820 where: short stacking energy: -5.820 Base-Backbone interact. energy: -0.048 local terms energy: -20.849800 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -3.460 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -37.805159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.805159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.805159 (E_RNA) where: Base-Base interactions energy: -14.699 where: short stacking energy: -14.699 Base-Backbone interact. energy: -0.002 local terms energy: -23.104338 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.447 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: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -34.807562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.807562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.807562 (E_RNA) where: Base-Base interactions energy: -12.604 where: short stacking energy: -12.604 Base-Backbone interact. energy: 0.079 local terms energy: -22.282481 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -4.064 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: 3, replica: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -40.469725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.469725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.469725 (E_RNA) where: Base-Base interactions energy: -16.258 where: short stacking energy: -16.258 Base-Backbone interact. energy: -0.000 local terms energy: -24.211761 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -5.423 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: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -36.352347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.352347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.352347 (E_RNA) where: Base-Base interactions energy: -12.521 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.000 local terms energy: -23.831232 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -32.362777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.362777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.362777 (E_RNA) where: Base-Base interactions energy: -9.612 where: short stacking energy: -9.612 Base-Backbone interact. energy: -0.009 local terms energy: -22.741771 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -31.910484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.910484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.910484 (E_RNA) where: Base-Base interactions energy: -8.045 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.101 local terms energy: -23.764701 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.003 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: 7, replica: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -35.604960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.604960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.604960 (E_RNA) where: Base-Base interactions energy: -14.152 where: short stacking energy: -14.152 Base-Backbone interact. energy: -0.000 local terms energy: -21.453210 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -36.037108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.037108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.037108 (E_RNA) where: Base-Base interactions energy: -14.408 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.003 local terms energy: -21.626293 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -4.508 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: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -34.083719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.083719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.083719 (E_RNA) where: Base-Base interactions energy: -13.318 where: short stacking energy: -13.318 Base-Backbone interact. energy: 0.274 local terms energy: -21.039680 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.389 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: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -29.574951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.574951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.574951 (E_RNA) where: Base-Base interactions energy: -6.630 where: short stacking energy: -6.630 Base-Backbone interact. energy: -0.001 local terms energy: -22.943272 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.070 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -6.512 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: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -41.871196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.871196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.871196 (E_RNA) where: Base-Base interactions energy: -14.447 where: short stacking energy: -14.447 Base-Backbone interact. energy: -0.013 local terms energy: -27.410950 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -5.066 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: 301 Temperature: 0.950000 Total energy: -37.984920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.984920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.984920 (E_RNA) where: Base-Base interactions energy: -14.169 where: short stacking energy: -14.169 Base-Backbone interact. energy: -0.000 local terms energy: -23.815361 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -32.342274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.342274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.342274 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.014 local terms energy: -21.554318 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -38.377692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.377692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.377692 (E_RNA) where: Base-Base interactions energy: -14.393 where: short stacking energy: -14.393 Base-Backbone interact. energy: -0.003 local terms energy: -23.981631 where: bonds (distance) C4'-P energy: -3.697 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -5.637 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: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -31.415061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.415061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.415061 (E_RNA) where: Base-Base interactions energy: -7.465 where: short stacking energy: -7.465 Base-Backbone interact. energy: -0.015 local terms energy: -23.934681 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.931 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: 6, replica: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -33.358449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.358449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.358449 (E_RNA) where: Base-Base interactions energy: -11.120 where: short stacking energy: -11.120 Base-Backbone interact. energy: -0.000 local terms energy: -22.238692 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -29.937031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.937031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.937031 (E_RNA) where: Base-Base interactions energy: -5.429 where: short stacking energy: -5.429 Base-Backbone interact. energy: -0.000 local terms energy: -24.507554 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -2.645 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: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -33.445206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.445206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.445206 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.088 local terms energy: -23.822278 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -31.110629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.110629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.110629 (E_RNA) where: Base-Base interactions energy: -11.739 where: short stacking energy: -11.739 Base-Backbone interact. energy: -0.000 local terms energy: -19.371397 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -1.490 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -27.533267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.533267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.533267 (E_RNA) where: Base-Base interactions energy: -7.327 where: short stacking energy: -7.826 Base-Backbone interact. energy: -0.008 local terms energy: -20.198688 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -36.558492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.558492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.558492 (E_RNA) where: Base-Base interactions energy: -13.399 where: short stacking energy: -13.399 Base-Backbone interact. energy: -0.066 local terms energy: -23.093106 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.140 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: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -38.927295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.927295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.927295 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.000 local terms energy: -26.092372 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -37.728790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.728790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.728790 (E_RNA) where: Base-Base interactions energy: -16.367 where: short stacking energy: -16.367 Base-Backbone interact. energy: -0.056 local terms energy: -21.305847 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -37.952803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.952803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.952803 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -11.847 Base-Backbone interact. energy: -0.000 local terms energy: -26.106136 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.558 flat angles P-C4'-P energy: -4.197 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: 3 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -32.952945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.952945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.952945 (E_RNA) where: Base-Base interactions energy: -8.062 where: short stacking energy: -8.062 Base-Backbone interact. energy: -0.000 local terms energy: -24.890627 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -32.935601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.935601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.935601 (E_RNA) where: Base-Base interactions energy: -13.100 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.022 local terms energy: -19.812779 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -2.773 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: 302 Temperature: 1.200000 Total energy: -32.569483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.569483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.569483 (E_RNA) where: Base-Base interactions energy: -11.981 where: short stacking energy: -11.981 Base-Backbone interact. energy: -0.008 local terms energy: -20.580885 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -3.658 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: 8, replica: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -32.111526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.111526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.111526 (E_RNA) where: Base-Base interactions energy: -8.005 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.000 local terms energy: -24.106741 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -32.314390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.314390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.314390 (E_RNA) where: Base-Base interactions energy: -7.511 where: short stacking energy: -7.959 Base-Backbone interact. energy: -0.088 local terms energy: -24.715857 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -32.147458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.147458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.147458 (E_RNA) where: Base-Base interactions energy: -11.303 where: short stacking energy: -11.303 Base-Backbone interact. energy: -0.038 local terms energy: -20.807061 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -3.457 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.392 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: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -39.493799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.493799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.493799 (E_RNA) where: Base-Base interactions energy: -14.662 where: short stacking energy: -14.662 Base-Backbone interact. energy: -0.000 local terms energy: -24.831582 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -5.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -36.768465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.768465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.768465 (E_RNA) where: Base-Base interactions energy: -13.016 where: short stacking energy: -13.016 Base-Backbone interact. energy: -0.322 local terms energy: -23.430525 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -36.006055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.006055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.006055 (E_RNA) where: Base-Base interactions energy: -14.311 where: short stacking energy: -14.311 Base-Backbone interact. energy: -0.000 local terms energy: -21.694426 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -36.056237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.056237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.056237 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.055 local terms energy: -21.846090 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -34.055145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.055145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.055145 (E_RNA) where: Base-Base interactions energy: -12.549 where: short stacking energy: -12.549 Base-Backbone interact. energy: 1.775 local terms energy: -23.280262 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -28.534751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.534751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.534751 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.004 local terms energy: -19.495570 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.581 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -33.213406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.213406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.213406 (E_RNA) where: Base-Base interactions energy: -9.897 where: short stacking energy: -9.897 Base-Backbone interact. energy: -0.001 local terms energy: -23.315248 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -3.426 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: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -32.741809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.741809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.741809 (E_RNA) where: Base-Base interactions energy: -9.633 where: short stacking energy: -9.633 Base-Backbone interact. energy: -0.004 local terms energy: -23.103993 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -30.871800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.871800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.871800 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.631 Base-Backbone interact. energy: -0.048 local terms energy: -21.192990 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -33.456894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.456894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.456894 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.016 local terms energy: -22.406846 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -39.878115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.878115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.878115 (E_RNA) where: Base-Base interactions energy: -13.578 where: short stacking energy: -13.578 Base-Backbone interact. energy: -0.000 local terms energy: -26.300135 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -38.638270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.638270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.638270 (E_RNA) where: Base-Base interactions energy: -13.200 where: short stacking energy: -13.200 Base-Backbone interact. energy: -0.000 local terms energy: -25.437749 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -35.922622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.922622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.922622 (E_RNA) where: Base-Base interactions energy: -11.070 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.000 local terms energy: -24.852482 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -3.986 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: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -36.264220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.264220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.264220 (E_RNA) where: Base-Base interactions energy: -11.895 where: short stacking energy: -11.895 Base-Backbone interact. energy: -0.000 local terms energy: -24.369336 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -4.310 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: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -29.169812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.169812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.169812 (E_RNA) where: Base-Base interactions energy: -6.647 where: short stacking energy: -6.647 Base-Backbone interact. energy: -0.236 local terms energy: -22.286571 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: 0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -34.375130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375130 (E_RNA) where: Base-Base interactions energy: -12.168 where: short stacking energy: -12.168 Base-Backbone interact. energy: -0.001 local terms energy: -22.206302 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -28.897851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.897851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.897851 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.087 Base-Backbone interact. energy: -0.113 local terms energy: -20.698157 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: 0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -31.443870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.443870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.443870 (E_RNA) where: Base-Base interactions energy: -8.336 where: short stacking energy: -8.336 Base-Backbone interact. energy: 0.055 local terms energy: -23.163359 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.273 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: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -29.504341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.504341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.504341 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.035 local terms energy: -21.761851 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: 0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -27.620378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.620378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.620378 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.085 local terms energy: -18.937918 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.264 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: 0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -41.623253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.623253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.623253 (E_RNA) where: Base-Base interactions energy: -15.257 where: short stacking energy: -15.257 Base-Backbone interact. energy: -0.033 local terms energy: -26.333246 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -37.591459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.591459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.591459 (E_RNA) where: Base-Base interactions energy: -13.611 where: short stacking energy: -13.611 Base-Backbone interact. energy: -0.007 local terms energy: -23.972673 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -4.835 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: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -32.780085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.780085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.780085 (E_RNA) where: Base-Base interactions energy: -9.929 where: short stacking energy: -9.929 Base-Backbone interact. energy: -0.015 local terms energy: -22.835742 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -35.800267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.800267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.800267 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.009 local terms energy: -23.078945 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -37.273944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.273944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.273944 (E_RNA) where: Base-Base interactions energy: -13.863 where: short stacking energy: -13.863 Base-Backbone interact. energy: -0.004 local terms energy: -23.406782 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.752 flat angles P-C4'-P energy: -3.087 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: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -32.884036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.884036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.884036 (E_RNA) where: Base-Base interactions energy: -13.276 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.071 local terms energy: -19.536928 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.104 flat angles P-C4'-P energy: -3.736 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: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -33.097978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.097978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.097978 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.011 local terms energy: -19.172237 where: bonds (distance) C4'-P energy: -2.147 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.238 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -33.421621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.421621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.421621 (E_RNA) where: Base-Base interactions energy: -9.522 where: short stacking energy: -9.522 Base-Backbone interact. energy: -0.004 local terms energy: -23.895983 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -3.577 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: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -30.665053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.665053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.665053 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.267 local terms energy: -19.060617 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.437 flat angles P-C4'-P energy: -4.145 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: 10, replica: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -33.381795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.381795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.381795 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.038 local terms energy: -21.529210 where: bonds (distance) C4'-P energy: -2.703 bonds (distance) P-C4' energy: -4.509 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -37.923416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.923416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.923416 (E_RNA) where: Base-Base interactions energy: -13.703 where: short stacking energy: -13.703 Base-Backbone interact. energy: -0.009 local terms energy: -24.212043 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.775 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: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -44.166953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.166953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.166953 (E_RNA) where: Base-Base interactions energy: -17.001 where: short stacking energy: -17.001 Base-Backbone interact. energy: -0.004 local terms energy: -27.161393 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -4.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -38.206377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.206377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.206377 (E_RNA) where: Base-Base interactions energy: -11.114 where: short stacking energy: -11.114 Base-Backbone interact. energy: -0.000 local terms energy: -27.092595 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -36.462425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.462425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.462425 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.376 local terms energy: -24.184654 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -34.691537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.691537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.691537 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.000 local terms energy: -23.991791 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -35.340208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.340208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.340208 (E_RNA) where: Base-Base interactions energy: -14.288 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.001 local terms energy: -21.051602 where: bonds (distance) C4'-P energy: -2.355 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -3.744 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: 7, replica: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -38.851654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.851654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.851654 (E_RNA) where: Base-Base interactions energy: -15.593 where: short stacking energy: -15.593 Base-Backbone interact. energy: -0.000 local terms energy: -23.258582 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -29.532520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.532520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.532520 (E_RNA) where: Base-Base interactions energy: -7.185 where: short stacking energy: -7.185 Base-Backbone interact. energy: -0.003 local terms energy: -22.344213 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -28.629832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.629832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.629832 (E_RNA) where: Base-Base interactions energy: -9.294 where: short stacking energy: -9.294 Base-Backbone interact. energy: -0.200 local terms energy: -19.136207 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -1.579 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: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -29.552294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.552294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.552294 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.100 local terms energy: -19.838503 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -3.603 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: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -40.204138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.204138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.204138 (E_RNA) where: Base-Base interactions energy: -15.205 where: short stacking energy: -15.205 Base-Backbone interact. energy: -0.007 local terms energy: -24.991858 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -40.428741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.428741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.428741 (E_RNA) where: Base-Base interactions energy: -14.373 where: short stacking energy: -14.373 Base-Backbone interact. energy: -0.000 local terms energy: -26.055770 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -6.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -39.601859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.601859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.601859 (E_RNA) where: Base-Base interactions energy: -17.962 where: short stacking energy: -17.962 Base-Backbone interact. energy: -0.035 local terms energy: -21.604819 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -4.629 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: 4, replica: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -37.383140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.383140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.383140 (E_RNA) where: Base-Base interactions energy: -13.100 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.042 local terms energy: -24.241001 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -38.851442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.851442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.851442 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.000 local terms energy: -26.054242 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -4.401 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: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -32.940594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.940594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.940594 (E_RNA) where: Base-Base interactions energy: -13.412 where: short stacking energy: -13.412 Base-Backbone interact. energy: -0.021 local terms energy: -19.507179 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -30.363513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.363513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.363513 (E_RNA) where: Base-Base interactions energy: -10.244 where: short stacking energy: -10.244 Base-Backbone interact. energy: -0.059 local terms energy: -20.060631 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.342 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: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -34.147347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.147347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.147347 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.752 Base-Backbone interact. energy: -0.301 local terms energy: -21.494057 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -31.176942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.176942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.176942 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.002 local terms energy: -19.783017 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -4.231 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: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -29.051593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.051593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.051593 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.002 local terms energy: -21.042670 where: bonds (distance) C4'-P energy: -1.867 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -39.751161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.751161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.751161 (E_RNA) where: Base-Base interactions energy: -13.588 where: short stacking energy: -13.588 Base-Backbone interact. energy: -0.000 local terms energy: -26.162924 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -36.579323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.579323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.579323 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.352 Base-Backbone interact. energy: -0.054 local terms energy: -24.173079 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -35.130637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.130637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.130637 (E_RNA) where: Base-Base interactions energy: -14.522 where: short stacking energy: -14.522 Base-Backbone interact. energy: -0.018 local terms energy: -20.591317 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -3.440 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: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -35.603806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.603806 (E_RNA) where: Base-Base interactions energy: -11.983 where: short stacking energy: -11.983 Base-Backbone interact. energy: -0.001 local terms energy: -23.620350 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -4.240 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: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -32.270698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.270698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.270698 (E_RNA) where: Base-Base interactions energy: -9.580 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.062 local terms energy: -22.628805 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -1.869 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -32.834548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.834548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.834548 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -9.958 Base-Backbone interact. energy: -0.005 local terms energy: -22.871351 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.633 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: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -29.336369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.336369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.336369 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -12.878 Base-Backbone interact. energy: -0.053 local terms energy: -16.405319 where: bonds (distance) C4'-P energy: -2.189 bonds (distance) P-C4' energy: -4.654 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -30.761833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.761833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.761833 (E_RNA) where: Base-Base interactions energy: -8.954 where: short stacking energy: -8.954 Base-Backbone interact. energy: -0.000 local terms energy: -21.807575 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -33.190825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.190825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.190825 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.030 local terms energy: -21.912196 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -4.189 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: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -27.850152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.850152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.850152 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.005 local terms energy: -19.988637 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -44.204828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.204828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.204828 (E_RNA) where: Base-Base interactions energy: -18.424 where: short stacking energy: -18.424 Base-Backbone interact. energy: -0.000 local terms energy: -25.780571 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -3.823 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: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -38.796673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.796673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.796673 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.049 local terms energy: -26.147289 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -5.622 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: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -39.836926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.836926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.836926 (E_RNA) where: Base-Base interactions energy: -14.303 where: short stacking energy: -14.303 Base-Backbone interact. energy: -0.000 local terms energy: -25.533843 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -33.921134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.921134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.921134 (E_RNA) where: Base-Base interactions energy: -12.901 where: short stacking energy: -12.901 Base-Backbone interact. energy: -0.000 local terms energy: -21.020377 where: bonds (distance) C4'-P energy: -2.508 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.893 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: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -33.600185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.600185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.600185 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: -0.000 local terms energy: -24.465372 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -30.979732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.979732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.979732 (E_RNA) where: Base-Base interactions energy: -9.688 where: short stacking energy: -9.688 Base-Backbone interact. energy: -0.002 local terms energy: -21.289274 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -2.183 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: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -31.608353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.608353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.608353 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.017 local terms energy: -20.900671 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -4.243 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: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -36.561588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.561588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.561588 (E_RNA) where: Base-Base interactions energy: -14.018 where: short stacking energy: -14.018 Base-Backbone interact. energy: -0.000 local terms energy: -22.543796 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -2.601 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: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -32.146227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146227 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.000 local terms energy: -19.151923 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -3.596 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -27.323155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.323155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.323155 (E_RNA) where: Base-Base interactions energy: -12.431 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.000 local terms energy: -14.892170 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -0.555 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -41.470979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.470979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.470979 (E_RNA) where: Base-Base interactions energy: -15.904 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.000 local terms energy: -25.567293 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -42.375209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.375209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.375209 (E_RNA) where: Base-Base interactions energy: -15.911 where: short stacking energy: -15.911 Base-Backbone interact. energy: -0.001 local terms energy: -26.463072 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -4.229 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: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -33.024118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.024118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.024118 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.000 local terms energy: -24.121183 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -3.561 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: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -35.205532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.205532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.205532 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.000 local terms energy: -21.958505 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -32.345071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.345071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.345071 (E_RNA) where: Base-Base interactions energy: -12.358 where: short stacking energy: -12.358 Base-Backbone interact. energy: -0.001 local terms energy: -19.985896 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -3.724 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: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -37.524596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.524596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.524596 (E_RNA) where: Base-Base interactions energy: -13.911 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.000 local terms energy: -23.613580 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -4.810 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -4.579 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: 7, replica: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -32.989993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.989993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.989993 (E_RNA) where: Base-Base interactions energy: -10.028 where: short stacking energy: -10.028 Base-Backbone interact. energy: 0.123 local terms energy: -23.085067 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -2.676 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: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -36.717974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.717974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.717974 (E_RNA) where: Base-Base interactions energy: -14.593 where: short stacking energy: -14.593 Base-Backbone interact. energy: -0.000 local terms energy: -22.124921 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -32.043788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.043788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.043788 (E_RNA) where: Base-Base interactions energy: -9.717 where: short stacking energy: -9.717 Base-Backbone interact. energy: -0.026 local terms energy: -22.301238 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.285 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: 10, replica: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -29.225570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.225570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.225570 (E_RNA) where: Base-Base interactions energy: -5.443 where: short stacking energy: -5.443 Base-Backbone interact. energy: -0.009 local terms energy: -23.774458 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -5.448 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: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -43.078681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.078681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.078681 (E_RNA) where: Base-Base interactions energy: -17.521 where: short stacking energy: -17.521 Base-Backbone interact. energy: -0.000 local terms energy: -25.557312 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -31.520516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.520516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.520516 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: 0.982 local terms energy: -20.852041 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -4.802 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: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -34.039784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.039784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.039784 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.077 local terms energy: -21.197667 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -1.920 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: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -37.260836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.260836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.260836 (E_RNA) where: Base-Base interactions energy: -14.667 where: short stacking energy: -14.667 Base-Backbone interact. energy: -0.055 local terms energy: -22.538544 where: bonds (distance) C4'-P energy: -3.501 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -33.804434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.804434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.804434 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.000 local terms energy: -20.738305 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.894 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: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -35.044236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.044236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.044236 (E_RNA) where: Base-Base interactions energy: -12.602 where: short stacking energy: -12.602 Base-Backbone interact. energy: -0.000 local terms energy: -22.441650 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -3.995 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: 7, replica: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -34.219065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.219065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.219065 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.101 local terms energy: -22.168243 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -30.582165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.582165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.582165 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.002 local terms energy: -23.483310 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -29.658774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.658774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.658774 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.000 local terms energy: -18.061074 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -3.048 flat angles P-C4'-P energy: -3.128 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: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -28.613766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.613766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.613766 (E_RNA) where: Base-Base interactions energy: -4.707 where: short stacking energy: -4.707 Base-Backbone interact. energy: 0.714 local terms energy: -24.621106 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -40.752419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.752419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.752419 (E_RNA) where: Base-Base interactions energy: -14.644 where: short stacking energy: -14.644 Base-Backbone interact. energy: -0.000 local terms energy: -26.108110 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -5.046 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: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -38.399481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.399481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.399481 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.000 local terms energy: -26.783505 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -37.865238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.865238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.865238 (E_RNA) where: Base-Base interactions energy: -16.696 where: short stacking energy: -16.696 Base-Backbone interact. energy: -0.033 local terms energy: -21.136096 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -35.271388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.271388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.271388 (E_RNA) where: Base-Base interactions energy: -12.493 where: short stacking energy: -12.493 Base-Backbone interact. energy: -0.007 local terms energy: -22.771721 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -4.273 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: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -31.238795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.238795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.238795 (E_RNA) where: Base-Base interactions energy: -9.160 where: short stacking energy: -9.160 Base-Backbone interact. energy: -0.049 local terms energy: -22.029314 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -2.105 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: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -33.868349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.868349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.868349 (E_RNA) where: Base-Base interactions energy: -13.289 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.000 local terms energy: -20.578980 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -4.191 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: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -29.601589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.601589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.601589 (E_RNA) where: Base-Base interactions energy: -9.834 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.001 local terms energy: -19.766995 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.701 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: 0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -34.213588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.213588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.213588 (E_RNA) where: Base-Base interactions energy: -10.619 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.092 local terms energy: -23.502496 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -31.446524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.446524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.446524 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.021 local terms energy: -18.073889 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -3.485 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -2.939 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: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -30.999521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.999521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.999521 (E_RNA) where: Base-Base interactions energy: -11.678 where: short stacking energy: -11.678 Base-Backbone interact. energy: -0.000 local terms energy: -19.321073 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -2.678 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -3.497 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: 313 Temperature: 0.900000 Total energy: -38.930693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.930693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.930693 (E_RNA) where: Base-Base interactions energy: -16.626 where: short stacking energy: -16.626 Base-Backbone interact. energy: -0.000 local terms energy: -22.305102 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -2.420 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: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -36.518914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.518914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.518914 (E_RNA) where: Base-Base interactions energy: -13.862 where: short stacking energy: -13.862 Base-Backbone interact. energy: -0.008 local terms energy: -22.649157 where: bonds (distance) C4'-P energy: -3.484 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -40.474386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.474386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.474386 (E_RNA) where: Base-Base interactions energy: -17.200 where: short stacking energy: -17.200 Base-Backbone interact. energy: -0.000 local terms energy: -23.274138 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -37.801892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.801892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.801892 (E_RNA) where: Base-Base interactions energy: -14.029 where: short stacking energy: -14.029 Base-Backbone interact. energy: -0.002 local terms energy: -23.770957 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -2.995 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: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -37.550061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.550061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.550061 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.004 local terms energy: -24.970502 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -30.314089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.314089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.314089 (E_RNA) where: Base-Base interactions energy: -9.289 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.644 local terms energy: -20.381333 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.604 flat angles P-C4'-P energy: -2.318 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -33.108783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.108783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.108783 (E_RNA) where: Base-Base interactions energy: -9.111 where: short stacking energy: -9.111 Base-Backbone interact. energy: -0.023 local terms energy: -23.974798 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -34.058548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.058548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.058548 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.000 local terms energy: -24.444390 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -3.849 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: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -25.295870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.295870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.295870 (E_RNA) where: Base-Base interactions energy: -10.191 where: short stacking energy: -10.191 Base-Backbone interact. energy: -0.090 local terms energy: -15.014499 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: 0.288 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -27.572631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.572631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.572631 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.087 Base-Backbone interact. energy: -0.055 local terms energy: -19.430483 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -41.117557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.117557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.117557 (E_RNA) where: Base-Base interactions energy: -16.979 where: short stacking energy: -16.979 Base-Backbone interact. energy: -0.022 local terms energy: -24.116789 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -4.161 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: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -41.152465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.152465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.152465 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.033 local terms energy: -28.532522 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -3.746 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: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -37.683425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.683425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.683425 (E_RNA) where: Base-Base interactions energy: -12.993 where: short stacking energy: -12.993 Base-Backbone interact. energy: -0.000 local terms energy: -24.690664 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -4.292 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: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -33.776541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.776541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.776541 (E_RNA) where: Base-Base interactions energy: -11.937 where: short stacking energy: -11.937 Base-Backbone interact. energy: -0.002 local terms energy: -21.838157 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -3.746 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: 314 Temperature: 1.100000 Total energy: -31.232493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.232493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.232493 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.045 local terms energy: -19.694602 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -5.546 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: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -32.379179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.379179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.379179 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.397 Base-Backbone interact. energy: -0.002 local terms energy: -22.192323 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -31.322867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.322867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.322867 (E_RNA) where: Base-Base interactions energy: -8.966 where: short stacking energy: -8.966 Base-Backbone interact. energy: -0.745 local terms energy: -21.611680 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -4.815 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: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -34.605493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.605493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.605493 (E_RNA) where: Base-Base interactions energy: -13.465 where: short stacking energy: -13.465 Base-Backbone interact. energy: -0.000 local terms energy: -21.140205 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -32.505903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.505903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.505903 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -12.308 Base-Backbone interact. energy: -0.007 local terms energy: -20.128320 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.845 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: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -35.322071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.322071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.322071 (E_RNA) where: Base-Base interactions energy: -13.336 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.002 local terms energy: -21.983979 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -37.584259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.584259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.584259 (E_RNA) where: Base-Base interactions energy: -13.815 where: short stacking energy: -13.815 Base-Backbone interact. energy: -0.005 local terms energy: -23.763690 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.691 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: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -36.014897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.014897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.014897 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.000 local terms energy: -23.384964 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -37.124922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.124922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.124922 (E_RNA) where: Base-Base interactions energy: -14.851 where: short stacking energy: -14.851 Base-Backbone interact. energy: -0.000 local terms energy: -22.274392 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -32.622910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.622910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.622910 (E_RNA) where: Base-Base interactions energy: -8.561 where: short stacking energy: -8.561 Base-Backbone interact. energy: -0.000 local terms energy: -24.061879 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -32.929584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.929584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.929584 (E_RNA) where: Base-Base interactions energy: -9.879 where: short stacking energy: -9.879 Base-Backbone interact. energy: -0.098 local terms energy: -22.952377 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -35.097915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.097915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.097915 (E_RNA) where: Base-Base interactions energy: -10.933 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.094 local terms energy: -24.070470 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -33.014067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.014067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.014067 (E_RNA) where: Base-Base interactions energy: -9.114 where: short stacking energy: -9.114 Base-Backbone interact. energy: -0.112 local terms energy: -23.788085 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -5.053 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: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -30.930232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.930232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.930232 (E_RNA) where: Base-Base interactions energy: -7.950 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.000 local terms energy: -22.980502 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -5.032 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: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -28.535436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.535436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.535436 (E_RNA) where: Base-Base interactions energy: -8.015 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.100 local terms energy: -20.420805 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -29.554316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.554316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.554316 (E_RNA) where: Base-Base interactions energy: -5.373 where: short stacking energy: -5.373 Base-Backbone interact. energy: -0.037 local terms energy: -24.144886 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -39.989079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.989079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.989079 (E_RNA) where: Base-Base interactions energy: -15.137 where: short stacking energy: -15.137 Base-Backbone interact. energy: -0.190 local terms energy: -24.661676 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -40.985385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.985385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.985385 (E_RNA) where: Base-Base interactions energy: -14.454 where: short stacking energy: -14.454 Base-Backbone interact. energy: -0.000 local terms energy: -26.531589 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -37.590864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.590864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.590864 (E_RNA) where: Base-Base interactions energy: -13.196 where: short stacking energy: -13.196 Base-Backbone interact. energy: -0.000 local terms energy: -24.395319 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -34.042389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.042389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.042389 (E_RNA) where: Base-Base interactions energy: -10.071 where: short stacking energy: -10.071 Base-Backbone interact. energy: -0.000 local terms energy: -23.970863 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -2.404 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: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -31.368250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.368250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.368250 (E_RNA) where: Base-Base interactions energy: -7.855 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.005 local terms energy: -23.508371 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -30.621204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.621204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.621204 (E_RNA) where: Base-Base interactions energy: -8.206 where: short stacking energy: -8.206 Base-Backbone interact. energy: -0.096 local terms energy: -22.318619 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -37.130011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.130011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.130011 (E_RNA) where: Base-Base interactions energy: -12.382 where: short stacking energy: -12.382 Base-Backbone interact. energy: -0.030 local terms energy: -24.718170 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -5.113 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: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -32.662507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.662507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.662507 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -13.452 Base-Backbone interact. energy: -0.078 local terms energy: -18.818556 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -0.381 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: 9, replica: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -29.816406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.816406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.816406 (E_RNA) where: Base-Base interactions energy: -6.196 where: short stacking energy: -6.196 Base-Backbone interact. energy: -0.000 local terms energy: -23.619927 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -29.207872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.207872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.207872 (E_RNA) where: Base-Base interactions energy: -7.948 where: short stacking energy: -7.948 Base-Backbone interact. energy: -0.109 local terms energy: -21.150387 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -2.251 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: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -41.736340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.736340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.736340 (E_RNA) where: Base-Base interactions energy: -18.195 where: short stacking energy: -18.195 Base-Backbone interact. energy: -0.000 local terms energy: -23.541417 where: bonds (distance) C4'-P energy: -3.087 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.346 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: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -43.519260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.519260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.519260 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.000 local terms energy: -27.713915 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -35.227310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.227310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.227310 (E_RNA) where: Base-Base interactions energy: -14.768 where: short stacking energy: -15.015 Base-Backbone interact. energy: -0.002 local terms energy: -20.457632 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -1.693 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: 4, replica: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -36.013908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.013908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.013908 (E_RNA) where: Base-Base interactions energy: -14.976 where: short stacking energy: -14.976 Base-Backbone interact. energy: -0.004 local terms energy: -21.034092 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -31.097729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.097729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.097729 (E_RNA) where: Base-Base interactions energy: -10.646 where: short stacking energy: -10.646 Base-Backbone interact. energy: -0.094 local terms energy: -20.357587 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -1.778 tors. eta vs tors. theta energy: 0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -34.128417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.128417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.128417 (E_RNA) where: Base-Base interactions energy: -13.702 where: short stacking energy: -13.702 Base-Backbone interact. energy: -0.012 local terms energy: -20.414287 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -30.937156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.937156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.937156 (E_RNA) where: Base-Base interactions energy: -8.212 where: short stacking energy: -8.212 Base-Backbone interact. energy: -0.000 local terms energy: -22.724698 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -4.270 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: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -36.355281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.355281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.355281 (E_RNA) where: Base-Base interactions energy: -12.508 where: short stacking energy: -12.508 Base-Backbone interact. energy: -0.000 local terms energy: -23.846938 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -30.589500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.589500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.589500 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.655 local terms energy: -22.553251 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.691 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: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -30.984314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.984314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.984314 (E_RNA) where: Base-Base interactions energy: -9.280 where: short stacking energy: -9.280 Base-Backbone interact. energy: -0.056 local terms energy: -21.648650 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -41.140794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.140794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.140794 (E_RNA) where: Base-Base interactions energy: -17.582 where: short stacking energy: -17.582 Base-Backbone interact. energy: -0.001 local terms energy: -23.558042 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -5.155 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: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -35.165406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.165406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.165406 (E_RNA) where: Base-Base interactions energy: -15.065 where: short stacking energy: -15.065 Base-Backbone interact. energy: 0.315 local terms energy: -20.415195 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -3.569 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: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -35.717448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.717448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.717448 (E_RNA) where: Base-Base interactions energy: -13.737 where: short stacking energy: -13.737 Base-Backbone interact. energy: -0.133 local terms energy: -21.847257 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.588 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: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -37.441993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.441993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.441993 (E_RNA) where: Base-Base interactions energy: -14.019 where: short stacking energy: -14.019 Base-Backbone interact. energy: -0.001 local terms energy: -23.422790 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -3.823 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: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -32.556898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.556898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.556898 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.019 local terms energy: -23.119925 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.248 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: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -36.749363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.749363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.749363 (E_RNA) where: Base-Base interactions energy: -11.356 where: short stacking energy: -11.356 Base-Backbone interact. energy: -0.001 local terms energy: -25.392424 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.106 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -32.617454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.617454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.617454 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.000 local terms energy: -20.376683 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -32.166973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.166973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.166973 (E_RNA) where: Base-Base interactions energy: -10.434 where: short stacking energy: -10.434 Base-Backbone interact. energy: -0.015 local terms energy: -21.718204 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -34.992258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.992258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.992258 (E_RNA) where: Base-Base interactions energy: -12.203 where: short stacking energy: -12.203 Base-Backbone interact. energy: -0.002 local terms energy: -22.787535 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -29.890586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.890586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.890586 (E_RNA) where: Base-Base interactions energy: -7.897 where: short stacking energy: -7.897 Base-Backbone interact. energy: -1.122 local terms energy: -20.871812 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -41.331919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.331919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.331919 (E_RNA) where: Base-Base interactions energy: -16.835 where: short stacking energy: -16.835 Base-Backbone interact. energy: -0.000 local terms energy: -24.496474 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.486 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: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -36.392613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.392613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.392613 (E_RNA) where: Base-Base interactions energy: -11.981 where: short stacking energy: -11.981 Base-Backbone interact. energy: -0.015 local terms energy: -24.396624 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -38.425157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.425157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.425157 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -14.800 Base-Backbone interact. energy: -0.325 local terms energy: -20.423301 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.944 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -36.422055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.422055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.422055 (E_RNA) where: Base-Base interactions energy: -12.673 where: short stacking energy: -12.673 Base-Backbone interact. energy: -0.027 local terms energy: -23.722013 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -36.685663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.685663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.685663 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.000 local terms energy: -24.929456 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -4.671 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: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -36.545932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.545932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.545932 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.000 local terms energy: -26.420446 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -32.970196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.970196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.970196 (E_RNA) where: Base-Base interactions energy: -11.410 where: short stacking energy: -11.410 Base-Backbone interact. energy: -0.068 local terms energy: -21.492345 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -31.083544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.083544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.083544 (E_RNA) where: Base-Base interactions energy: -12.134 where: short stacking energy: -12.134 Base-Backbone interact. energy: -0.000 local terms energy: -18.949160 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.362 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: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -30.031812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.031812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.031812 (E_RNA) where: Base-Base interactions energy: -9.770 where: short stacking energy: -9.770 Base-Backbone interact. energy: -0.084 local terms energy: -20.178291 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -2.625 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -30.406294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.406294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.406294 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: -0.004 local terms energy: -18.942977 where: bonds (distance) C4'-P energy: -2.219 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.695 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: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -41.969898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.969898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.969898 (E_RNA) where: Base-Base interactions energy: -17.141 where: short stacking energy: -17.141 Base-Backbone interact. energy: -0.019 local terms energy: -24.809452 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -3.646 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: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -38.728256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.728256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.728256 (E_RNA) where: Base-Base interactions energy: -13.150 where: short stacking energy: -13.150 Base-Backbone interact. energy: -0.009 local terms energy: -25.569551 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -33.907114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.907114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.907114 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.001 local terms energy: -23.025649 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -35.270657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.270657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.270657 (E_RNA) where: Base-Base interactions energy: -13.935 where: short stacking energy: -13.935 Base-Backbone interact. energy: -0.005 local terms energy: -21.330044 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -36.170511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.170511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.170511 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.019 local terms energy: -27.106499 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -5.078 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: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -33.663977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.663977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.663977 (E_RNA) where: Base-Base interactions energy: -13.033 where: short stacking energy: -13.035 Base-Backbone interact. energy: -0.003 local terms energy: -20.628461 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -38.294610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.294610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.294610 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -12.661 Base-Backbone interact. energy: -0.001 local terms energy: -25.632613 where: bonds (distance) C4'-P energy: -5.294 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -32.084359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.084359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.084359 (E_RNA) where: Base-Base interactions energy: -12.494 where: short stacking energy: -12.494 Base-Backbone interact. energy: -0.000 local terms energy: -19.589808 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -2.089 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: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -32.203869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203869 (E_RNA) where: Base-Base interactions energy: -9.159 where: short stacking energy: -9.159 Base-Backbone interact. energy: -0.000 local terms energy: -23.045057 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.469 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: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -30.983031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.983031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.983031 (E_RNA) where: Base-Base interactions energy: -10.805 where: short stacking energy: -10.805 Base-Backbone interact. energy: -0.002 local terms energy: -20.176392 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -5.648 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: 1, replica: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -37.261814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.261814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.261814 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.006 local terms energy: -23.752591 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -35.140739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.140739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.140739 (E_RNA) where: Base-Base interactions energy: -13.752 where: short stacking energy: -13.752 Base-Backbone interact. energy: -0.004 local terms energy: -21.384393 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -41.786535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.786535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.786535 (E_RNA) where: Base-Base interactions energy: -16.063 where: short stacking energy: -16.063 Base-Backbone interact. energy: -0.000 local terms energy: -25.723840 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -42.639065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.639065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.639065 (E_RNA) where: Base-Base interactions energy: -16.554 where: short stacking energy: -16.554 Base-Backbone interact. energy: -0.000 local terms energy: -26.085268 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -6.081 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: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -36.472670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.472670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.472670 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.001 local terms energy: -23.532994 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.654 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: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -34.939729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.939729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.939729 (E_RNA) where: Base-Base interactions energy: -9.670 where: short stacking energy: -9.670 Base-Backbone interact. energy: -0.000 local terms energy: -25.269821 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -5.476 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: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -32.003594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.003594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.003594 (E_RNA) where: Base-Base interactions energy: -9.482 where: short stacking energy: -9.482 Base-Backbone interact. energy: -0.014 local terms energy: -22.507586 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -33.554821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.554821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.554821 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -9.105 Base-Backbone interact. energy: -0.000 local terms energy: -24.449850 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -3.341 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: 9, replica: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -31.129376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.129376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.129376 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.453 Base-Backbone interact. energy: -0.010 local terms energy: -22.666029 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -30.732207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.732207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.732207 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.064 local terms energy: -20.527068 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -5.231 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: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -40.681729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.681729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.681729 (E_RNA) where: Base-Base interactions energy: -13.053 where: short stacking energy: -13.053 Base-Backbone interact. energy: -0.000 local terms energy: -27.628355 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.805 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: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -38.299789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.299789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.299789 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -11.280 Base-Backbone interact. energy: -0.000 local terms energy: -27.019576 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -36.232013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.232013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.232013 (E_RNA) where: Base-Base interactions energy: -10.859 where: short stacking energy: -10.859 Base-Backbone interact. energy: -0.001 local terms energy: -25.372215 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -39.782123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.782123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.782123 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.000 local terms energy: -27.018023 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -31.766902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.766902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.766902 (E_RNA) where: Base-Base interactions energy: -7.935 where: short stacking energy: -7.935 Base-Backbone interact. energy: -0.009 local terms energy: -23.823092 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -32.708603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.708603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.708603 (E_RNA) where: Base-Base interactions energy: -15.436 where: short stacking energy: -15.436 Base-Backbone interact. energy: -0.005 local terms energy: -17.268337 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -1.641 flat angles P-C4'-P energy: -1.286 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -33.352938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.352938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.352938 (E_RNA) where: Base-Base interactions energy: -8.810 where: short stacking energy: -8.810 Base-Backbone interact. energy: -0.007 local terms energy: -24.535335 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -33.033946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.033946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.033946 (E_RNA) where: Base-Base interactions energy: -8.544 where: short stacking energy: -8.544 Base-Backbone interact. energy: -0.066 local terms energy: -24.424622 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.740 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: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -27.092958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.092958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.092958 (E_RNA) where: Base-Base interactions energy: -2.651 where: short stacking energy: -2.651 Base-Backbone interact. energy: -0.010 local terms energy: -24.431370 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.442 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: 322 Temperature: 1.350000 Total energy: -33.008545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.008545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.008545 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.000 local terms energy: -24.855080 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.627 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: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -44.524360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.524360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.524360 (E_RNA) where: Base-Base interactions energy: -17.506 where: short stacking energy: -17.506 Base-Backbone interact. energy: -0.000 local terms energy: -27.018492 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -2.700 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: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -33.907022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.907022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.907022 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: 1.626 local terms energy: -23.386213 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -39.779384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.779384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.779384 (E_RNA) where: Base-Base interactions energy: -15.168 where: short stacking energy: -15.168 Base-Backbone interact. energy: -0.000 local terms energy: -24.611122 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -32.866977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.866977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.866977 (E_RNA) where: Base-Base interactions energy: -9.748 where: short stacking energy: -9.748 Base-Backbone interact. energy: -0.010 local terms energy: -23.108498 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -36.097060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.097060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.097060 (E_RNA) where: Base-Base interactions energy: -14.406 where: short stacking energy: -14.406 Base-Backbone interact. energy: -0.000 local terms energy: -21.690768 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -3.424 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: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -28.565483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.565483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.565483 (E_RNA) where: Base-Base interactions energy: -8.051 where: short stacking energy: -8.051 Base-Backbone interact. energy: -0.166 local terms energy: -20.347723 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -34.639561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.639561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.639561 (E_RNA) where: Base-Base interactions energy: -10.825 where: short stacking energy: -10.825 Base-Backbone interact. energy: -0.088 local terms energy: -23.727018 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.177 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: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -32.984146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984146 (E_RNA) where: Base-Base interactions energy: -13.104 where: short stacking energy: -13.104 Base-Backbone interact. energy: -0.000 local terms energy: -19.880361 where: bonds (distance) C4'-P energy: -3.072 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -3.573 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: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -32.220613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.220613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.220613 (E_RNA) where: Base-Base interactions energy: -12.541 where: short stacking energy: -12.541 Base-Backbone interact. energy: -0.079 local terms energy: -19.601373 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -2.260 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -28.594169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.594169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.594169 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.023 local terms energy: -19.449088 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.334 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: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -42.279758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.279758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.279758 (E_RNA) where: Base-Base interactions energy: -17.201 where: short stacking energy: -17.201 Base-Backbone interact. energy: -0.000 local terms energy: -25.078522 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -5.508 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: 324 Temperature: 0.950000 Total energy: -40.297999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.297999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.297999 (E_RNA) where: Base-Base interactions energy: -17.044 where: short stacking energy: -17.044 Base-Backbone interact. energy: -0.000 local terms energy: -23.254227 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -2.029 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: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -39.731668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.731668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.731668 (E_RNA) where: Base-Base interactions energy: -12.843 where: short stacking energy: -12.843 Base-Backbone interact. energy: -0.008 local terms energy: -26.881227 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -31.126299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.126299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.126299 (E_RNA) where: Base-Base interactions energy: -14.219 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.268 local terms energy: -16.639686 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -3.803 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: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -35.352536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.352536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.352536 (E_RNA) where: Base-Base interactions energy: -10.360 where: short stacking energy: -10.360 Base-Backbone interact. energy: -0.000 local terms energy: -24.992669 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.072 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: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -28.915844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.915844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.915844 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.029 local terms energy: -18.986123 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -2.849 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -30.795351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.795351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.795351 (E_RNA) where: Base-Base interactions energy: -8.923 where: short stacking energy: -8.923 Base-Backbone interact. energy: -0.053 local terms energy: -21.819459 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -30.518488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.518488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.518488 (E_RNA) where: Base-Base interactions energy: -6.999 where: short stacking energy: -6.999 Base-Backbone interact. energy: -0.282 local terms energy: -23.237584 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -3.495 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: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -30.270917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.270917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.270917 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.000 local terms energy: -21.775323 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -4.042 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -28.206385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.206385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.206385 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.100 local terms energy: -20.125722 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -3.861 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: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -36.342846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.342846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.342846 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: -0.000 local terms energy: -23.015379 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: -5.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -36.233160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.233160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.233160 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.051 local terms energy: -23.101615 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -38.913538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.913538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.913538 (E_RNA) where: Base-Base interactions energy: -16.216 where: short stacking energy: -16.216 Base-Backbone interact. energy: -0.092 local terms energy: -22.606312 where: bonds (distance) C4'-P energy: -2.553 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.372 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: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -39.823004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.823004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.823004 (E_RNA) where: Base-Base interactions energy: -13.438 where: short stacking energy: -13.438 Base-Backbone interact. energy: -0.003 local terms energy: -26.381994 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -37.949499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.949499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.949499 (E_RNA) where: Base-Base interactions energy: -12.995 where: short stacking energy: -12.305 Base-Backbone interact. energy: -0.000 local terms energy: -24.954342 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -32.560043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.560043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.560043 (E_RNA) where: Base-Base interactions energy: -12.479 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.000 local terms energy: -20.080565 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -2.134 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: 7, replica: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -31.562304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562304 (E_RNA) where: Base-Base interactions energy: -9.148 where: short stacking energy: -9.148 Base-Backbone interact. energy: -0.010 local terms energy: -22.403646 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -33.432035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.432035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.432035 (E_RNA) where: Base-Base interactions energy: -12.351 where: short stacking energy: -12.351 Base-Backbone interact. energy: -0.010 local terms energy: -21.070868 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -2.199 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: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -31.128122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.128122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.128122 (E_RNA) where: Base-Base interactions energy: -10.301 where: short stacking energy: -10.301 Base-Backbone interact. energy: -0.125 local terms energy: -20.701929 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -3.920 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -28.970260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.970260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.970260 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.000 local terms energy: -18.190616 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.091 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -3.278 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: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -39.639325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.639325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.639325 (E_RNA) where: Base-Base interactions energy: -15.318 where: short stacking energy: -15.318 Base-Backbone interact. energy: -0.000 local terms energy: -24.320799 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -5.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -40.250924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.250924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.250924 (E_RNA) where: Base-Base interactions energy: -16.974 where: short stacking energy: -16.974 Base-Backbone interact. energy: 1.082 local terms energy: -24.358479 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.754 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: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -39.986475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.986475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.986475 (E_RNA) where: Base-Base interactions energy: -16.992 where: short stacking energy: -16.992 Base-Backbone interact. energy: -0.005 local terms energy: -22.988997 where: bonds (distance) C4'-P energy: -2.935 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -4.537 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: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -35.413254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.413254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.413254 (E_RNA) where: Base-Base interactions energy: -14.865 where: short stacking energy: -14.865 Base-Backbone interact. energy: -0.094 local terms energy: -20.454704 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -36.289917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.289917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.289917 (E_RNA) where: Base-Base interactions energy: -14.539 where: short stacking energy: -14.539 Base-Backbone interact. energy: -0.002 local terms energy: -21.749332 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -28.243481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.243481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.243481 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.008 local terms energy: -16.671696 where: bonds (distance) C4'-P energy: -3.705 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -31.256912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.256912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.256912 (E_RNA) where: Base-Base interactions energy: -12.134 where: short stacking energy: -12.134 Base-Backbone interact. energy: -0.004 local terms energy: -19.118703 where: bonds (distance) C4'-P energy: -4.102 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -4.986 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: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -30.149703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.149703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.149703 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: 0.192 local terms energy: -22.657125 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -33.030636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.030636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.030636 (E_RNA) where: Base-Base interactions energy: -12.199 where: short stacking energy: -12.199 Base-Backbone interact. energy: -0.000 local terms energy: -20.831868 where: bonds (distance) C4'-P energy: -3.138 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -4.726 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: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -29.379748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.379748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.379748 (E_RNA) where: Base-Base interactions energy: -8.441 where: short stacking energy: -8.441 Base-Backbone interact. energy: -0.000 local terms energy: -20.938285 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -2.139 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: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -40.224026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.224026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.224026 (E_RNA) where: Base-Base interactions energy: -13.423 where: short stacking energy: -13.423 Base-Backbone interact. energy: -0.016 local terms energy: -26.784756 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -38.766751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.766751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.766751 (E_RNA) where: Base-Base interactions energy: -14.609 where: short stacking energy: -14.609 Base-Backbone interact. energy: -0.001 local terms energy: -24.157435 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -33.667009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.667009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.667009 (E_RNA) where: Base-Base interactions energy: -11.235 where: short stacking energy: -11.235 Base-Backbone interact. energy: -0.011 local terms energy: -22.421181 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.568 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -34.334284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.334284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.334284 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.001 local terms energy: -23.237188 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.404 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: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -35.187032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.187032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.187032 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.000 local terms energy: -22.492207 where: bonds (distance) C4'-P energy: -3.337 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -33.394631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.394631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.394631 (E_RNA) where: Base-Base interactions energy: -9.979 where: short stacking energy: -9.979 Base-Backbone interact. energy: -0.353 local terms energy: -23.062326 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.652 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: 327 Temperature: 1.200000 Total energy: -29.839668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.839668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.839668 (E_RNA) where: Base-Base interactions energy: -9.303 where: short stacking energy: -9.303 Base-Backbone interact. energy: -0.072 local terms energy: -20.464280 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -2.189 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: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -37.936347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.936347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.936347 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.000 local terms energy: -24.342149 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -32.007617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.007617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.007617 (E_RNA) where: Base-Base interactions energy: -13.283 where: short stacking energy: -13.283 Base-Backbone interact. energy: -1.193 local terms energy: -17.531647 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -3.565 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.193 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: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -23.669895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.669895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.669895 (E_RNA) where: Base-Base interactions energy: -4.949 where: short stacking energy: -4.949 Base-Backbone interact. energy: -0.012 local terms energy: -18.708988 where: bonds (distance) C4'-P energy: -3.017 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.169 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: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -37.739744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.739744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.739744 (E_RNA) where: Base-Base interactions energy: -14.737 where: short stacking energy: -14.737 Base-Backbone interact. energy: -0.000 local terms energy: -23.002437 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -39.079792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.079792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.079792 (E_RNA) where: Base-Base interactions energy: -13.213 where: short stacking energy: -13.213 Base-Backbone interact. energy: -0.028 local terms energy: -25.838520 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -40.721790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.721790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.721790 (E_RNA) where: Base-Base interactions energy: -17.115 where: short stacking energy: -17.115 Base-Backbone interact. energy: -0.000 local terms energy: -23.606791 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -37.461612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.461612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.461612 (E_RNA) where: Base-Base interactions energy: -13.172 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.000 local terms energy: -24.289131 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -41.242376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.242376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.242376 (E_RNA) where: Base-Base interactions energy: -15.713 where: short stacking energy: -15.713 Base-Backbone interact. energy: -0.001 local terms energy: -25.528508 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -33.781824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.781824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.781824 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.000 local terms energy: -22.252728 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -3.959 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: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -34.434866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.434866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.434866 (E_RNA) where: Base-Base interactions energy: -11.532 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.095 local terms energy: -22.808542 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -4.168 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: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -31.340995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.340995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.340995 (E_RNA) where: Base-Base interactions energy: -9.365 where: short stacking energy: -9.365 Base-Backbone interact. energy: -0.001 local terms energy: -21.975429 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -2.485 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: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -33.733731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.733731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.733731 (E_RNA) where: Base-Base interactions energy: -12.374 where: short stacking energy: -12.374 Base-Backbone interact. energy: -0.243 local terms energy: -21.115934 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -30.987026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.987026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.987026 (E_RNA) where: Base-Base interactions energy: -8.318 where: short stacking energy: -8.318 Base-Backbone interact. energy: 0.376 local terms energy: -23.045276 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.978 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: 1, replica: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -37.444054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.444054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.444054 (E_RNA) where: Base-Base interactions energy: -15.947 where: short stacking energy: -15.947 Base-Backbone interact. energy: -0.003 local terms energy: -21.494137 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -0.815 tors. eta vs tors. theta energy: -6.555 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: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -39.157341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.157341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.157341 (E_RNA) where: Base-Base interactions energy: -14.618 where: short stacking energy: -14.618 Base-Backbone interact. energy: -0.058 local terms energy: -24.482117 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -36.895616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.895616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.895616 (E_RNA) where: Base-Base interactions energy: -13.784 where: short stacking energy: -13.784 Base-Backbone interact. energy: -0.004 local terms energy: -23.107882 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -33.702730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.702730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.702730 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.000 local terms energy: -21.868420 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -35.101540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.101540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.101540 (E_RNA) where: Base-Base interactions energy: -14.786 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.000 local terms energy: -20.315477 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -3.432 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: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -35.514337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.514337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.514337 (E_RNA) where: Base-Base interactions energy: -11.734 where: short stacking energy: -11.734 Base-Backbone interact. energy: -0.051 local terms energy: -23.729929 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.419 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: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -32.505989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.505989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.505989 (E_RNA) where: Base-Base interactions energy: -12.322 where: short stacking energy: -12.322 Base-Backbone interact. energy: -0.096 local terms energy: -20.087859 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -0.903 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -32.955599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.955599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.955599 (E_RNA) where: Base-Base interactions energy: -8.885 where: short stacking energy: -8.885 Base-Backbone interact. energy: -0.000 local terms energy: -24.069984 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -36.509342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.509342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.509342 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -9.811 Base-Backbone interact. energy: -0.002 local terms energy: -26.696349 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -28.628570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.628570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.628570 (E_RNA) where: Base-Base interactions energy: -9.168 where: short stacking energy: -9.364 Base-Backbone interact. energy: -0.045 local terms energy: -19.416225 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.399 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: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -41.810645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.810645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.810645 (E_RNA) where: Base-Base interactions energy: -16.188 where: short stacking energy: -16.188 Base-Backbone interact. energy: -0.036 local terms energy: -25.586330 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -2.999 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: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -41.384764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.384764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.384764 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.041 local terms energy: -23.857181 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.624 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: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -36.604110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.604110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.604110 (E_RNA) where: Base-Base interactions energy: -12.477 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.007 local terms energy: -24.120825 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -40.928219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.928219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.928219 (E_RNA) where: Base-Base interactions energy: -12.969 where: short stacking energy: -12.969 Base-Backbone interact. energy: -0.000 local terms energy: -27.958873 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -6.387 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: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -31.305793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.305793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.305793 (E_RNA) where: Base-Base interactions energy: -10.065 where: short stacking energy: -10.065 Base-Backbone interact. energy: -0.022 local terms energy: -21.218852 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -1.658 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: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -37.625161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.625161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.625161 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.000 local terms energy: -23.480965 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.212 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: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -34.876838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.876838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.876838 (E_RNA) where: Base-Base interactions energy: -11.752 where: short stacking energy: -11.752 Base-Backbone interact. energy: -0.000 local terms energy: -23.124965 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.324 flat angles P-C4'-P energy: -3.185 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: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -30.450915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.450915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.450915 (E_RNA) where: Base-Base interactions energy: -10.496 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.053 local terms energy: -19.902280 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -28.065595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.065595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.065595 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.004 local terms energy: -20.365379 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: 0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -30.948943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.948943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.948943 (E_RNA) where: Base-Base interactions energy: -7.609 where: short stacking energy: -7.609 Base-Backbone interact. energy: -1.901 local terms energy: -21.439260 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -40.147082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.147082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.147082 (E_RNA) where: Base-Base interactions energy: -17.760 where: short stacking energy: -17.760 Base-Backbone interact. energy: -0.011 local terms energy: -22.376642 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -32.592841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.592841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.592841 (E_RNA) where: Base-Base interactions energy: -8.005 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.020 local terms energy: -24.567935 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -37.559526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.559526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.559526 (E_RNA) where: Base-Base interactions energy: -13.403 where: short stacking energy: -13.403 Base-Backbone interact. energy: -0.001 local terms energy: -24.155551 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -2.871 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: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -33.529622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.529622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.529622 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: 0.399 local terms energy: -22.909978 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -32.721981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.721981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.721981 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -12.280 Base-Backbone interact. energy: 0.133 local terms energy: -20.574347 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -34.308925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.308925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.308925 (E_RNA) where: Base-Base interactions energy: -13.544 where: short stacking energy: -13.544 Base-Backbone interact. energy: -0.005 local terms energy: -20.759217 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -36.131224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.131224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.131224 (E_RNA) where: Base-Base interactions energy: -11.011 where: short stacking energy: -11.011 Base-Backbone interact. energy: -0.000 local terms energy: -25.119659 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -30.614327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.614327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.614327 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.153 local terms energy: -23.005988 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -29.585585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.585585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.585585 (E_RNA) where: Base-Base interactions energy: -8.662 where: short stacking energy: -8.662 Base-Backbone interact. energy: -0.020 local terms energy: -20.903278 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -31.676646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676646 (E_RNA) where: Base-Base interactions energy: -9.378 where: short stacking energy: -9.378 Base-Backbone interact. energy: -0.000 local terms energy: -22.298819 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -40.949560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.949560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.949560 (E_RNA) where: Base-Base interactions energy: -13.823 where: short stacking energy: -13.823 Base-Backbone interact. energy: -0.000 local terms energy: -27.126431 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -37.844474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.844474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.844474 (E_RNA) where: Base-Base interactions energy: -9.749 where: short stacking energy: -9.749 Base-Backbone interact. energy: -0.000 local terms energy: -28.095916 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -40.460771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.460771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.460771 (E_RNA) where: Base-Base interactions energy: -13.882 where: short stacking energy: -13.882 Base-Backbone interact. energy: -0.000 local terms energy: -26.578726 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -42.486516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.486516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.486516 (E_RNA) where: Base-Base interactions energy: -17.481 where: short stacking energy: -17.481 Base-Backbone interact. energy: -0.001 local terms energy: -25.004470 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -34.824397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.824397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.824397 (E_RNA) where: Base-Base interactions energy: -12.508 where: short stacking energy: -12.508 Base-Backbone interact. energy: -0.052 local terms energy: -22.264381 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.380 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: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -34.007027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.007027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.007027 (E_RNA) where: Base-Base interactions energy: -9.647 where: short stacking energy: -9.647 Base-Backbone interact. energy: -0.235 local terms energy: -24.125472 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -33.758659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.758659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.758659 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.006 local terms energy: -22.249050 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -1.422 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: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -34.274294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.274294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.274294 (E_RNA) where: Base-Base interactions energy: -9.003 where: short stacking energy: -9.003 Base-Backbone interact. energy: -0.103 local terms energy: -25.168828 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.091 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: 9, replica: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -28.098046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.098046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.098046 (E_RNA) where: Base-Base interactions energy: -7.364 where: short stacking energy: -7.364 Base-Backbone interact. energy: -0.076 local terms energy: -20.658490 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -30.980998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.980998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.980998 (E_RNA) where: Base-Base interactions energy: -9.851 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.054 local terms energy: -21.075755 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -40.451447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.451447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.451447 (E_RNA) where: Base-Base interactions energy: -14.649 where: short stacking energy: -14.649 Base-Backbone interact. energy: -0.000 local terms energy: -25.802387 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -5.316 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: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -36.992133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.992133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.992133 (E_RNA) where: Base-Base interactions energy: -13.253 where: short stacking energy: -13.253 Base-Backbone interact. energy: -0.001 local terms energy: -23.738319 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -4.081 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: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -40.072311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.072311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.072311 (E_RNA) where: Base-Base interactions energy: -17.722 where: short stacking energy: -17.722 Base-Backbone interact. energy: -0.000 local terms energy: -22.350039 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -32.357507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.357507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.357507 (E_RNA) where: Base-Base interactions energy: -14.323 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.044 local terms energy: -17.991177 where: bonds (distance) C4'-P energy: -2.393 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -2.933 flat angles P-C4'-P energy: -5.006 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: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -35.983301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.983301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.983301 (E_RNA) where: Base-Base interactions energy: -15.670 where: short stacking energy: -15.670 Base-Backbone interact. energy: -0.013 local terms energy: -20.299679 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -4.944 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -1.752 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: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -36.942063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.942063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.942063 (E_RNA) where: Base-Base interactions energy: -15.081 where: short stacking energy: -15.081 Base-Backbone interact. energy: -0.003 local terms energy: -21.858041 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -3.094 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: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -30.559357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.559357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.559357 (E_RNA) where: Base-Base interactions energy: -8.897 where: short stacking energy: -8.897 Base-Backbone interact. energy: -0.001 local terms energy: -21.661633 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -3.005 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: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -29.348551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.348551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.348551 (E_RNA) where: Base-Base interactions energy: -9.659 where: short stacking energy: -9.659 Base-Backbone interact. energy: -0.097 local terms energy: -19.592520 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -2.603 flat angles P-C4'-P energy: -4.134 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: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -29.519982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.519982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.519982 (E_RNA) where: Base-Base interactions energy: -9.416 where: short stacking energy: -9.416 Base-Backbone interact. energy: -0.015 local terms energy: -20.089115 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -2.395 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: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -32.282175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.282175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.282175 (E_RNA) where: Base-Base interactions energy: -8.714 where: short stacking energy: -8.714 Base-Backbone interact. energy: -0.014 local terms energy: -23.554650 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -40.796764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.796764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.796764 (E_RNA) where: Base-Base interactions energy: -13.801 where: short stacking energy: -13.801 Base-Backbone interact. energy: -0.189 local terms energy: -26.807378 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.128 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: 2, replica: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -40.197325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.197325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.197325 (E_RNA) where: Base-Base interactions energy: -11.692 where: short stacking energy: -11.692 Base-Backbone interact. energy: -0.000 local terms energy: -28.505254 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -34.569804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.569804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.569804 (E_RNA) where: Base-Base interactions energy: -10.086 where: short stacking energy: -10.086 Base-Backbone interact. energy: -0.024 local terms energy: -24.459661 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -4.525 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: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -37.538076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.538076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.538076 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.005 local terms energy: -25.679064 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -36.097427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.097427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.097427 (E_RNA) where: Base-Base interactions energy: -10.570 where: short stacking energy: -10.570 Base-Backbone interact. energy: -0.001 local terms energy: -25.526171 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -37.692680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.692680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.692680 (E_RNA) where: Base-Base interactions energy: -13.604 where: short stacking energy: -13.604 Base-Backbone interact. energy: -0.090 local terms energy: -23.998863 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.328 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: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -31.396744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.396744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.396744 (E_RNA) where: Base-Base interactions energy: -10.666 where: short stacking energy: -10.666 Base-Backbone interact. energy: -0.001 local terms energy: -20.729700 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -33.353567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.353567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.353567 (E_RNA) where: Base-Base interactions energy: -14.603 where: short stacking energy: -14.603 Base-Backbone interact. energy: -0.007 local terms energy: -18.744275 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -2.755 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: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -30.525706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.525706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.525706 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -9.292 Base-Backbone interact. energy: -0.062 local terms energy: -21.171359 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.822 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -29.908886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.908886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.908886 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -1.120 local terms energy: -15.500331 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -3.016 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -3.065 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: 335 Temperature: 0.900000 Total energy: -37.561567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.561567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.561567 (E_RNA) where: Base-Base interactions energy: -12.418 where: short stacking energy: -12.418 Base-Backbone interact. energy: -0.000 local terms energy: -25.143801 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -4.700 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: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -35.277489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.277489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.277489 (E_RNA) where: Base-Base interactions energy: -13.622 where: short stacking energy: -13.622 Base-Backbone interact. energy: -0.020 local terms energy: -21.635905 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.046 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: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -40.090021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.090021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.090021 (E_RNA) where: Base-Base interactions energy: -15.263 where: short stacking energy: -15.263 Base-Backbone interact. energy: -0.005 local terms energy: -24.822060 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -40.566201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.566201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.566201 (E_RNA) where: Base-Base interactions energy: -11.788 where: short stacking energy: -11.788 Base-Backbone interact. energy: -2.573 local terms energy: -26.205349 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -4.920 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: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -38.523407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.523407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.523407 (E_RNA) where: Base-Base interactions energy: -13.627 where: short stacking energy: -13.627 Base-Backbone interact. energy: 0.022 local terms energy: -24.918473 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -3.989 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: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -34.625740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.625740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.625740 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.022 local terms energy: -20.743508 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.213 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: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -34.117741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.117741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.117741 (E_RNA) where: Base-Base interactions energy: -13.596 where: short stacking energy: -13.596 Base-Backbone interact. energy: -0.099 local terms energy: -20.423011 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -2.923 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: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -29.754776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.754776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.754776 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.009 local terms energy: -22.113183 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -27.729085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.729085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.729085 (E_RNA) where: Base-Base interactions energy: -9.767 where: short stacking energy: -9.767 Base-Backbone interact. energy: -0.127 local terms energy: -17.834888 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -3.189 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: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -26.723629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.723629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.723629 (E_RNA) where: Base-Base interactions energy: -6.658 where: short stacking energy: -6.658 Base-Backbone interact. energy: -0.000 local terms energy: -20.065863 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.102 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: 1, replica: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -43.330166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.330166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.330166 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.020 local terms energy: -25.702342 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -5.346 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: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -36.103451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.103451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.103451 (E_RNA) where: Base-Base interactions energy: -11.659 where: short stacking energy: -11.659 Base-Backbone interact. energy: -0.002 local terms energy: -24.442878 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -39.343905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.343905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.343905 (E_RNA) where: Base-Base interactions energy: -14.278 where: short stacking energy: -14.278 Base-Backbone interact. energy: -0.000 local terms energy: -25.066164 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -5.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -37.002802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.002802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.002802 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.100 local terms energy: -23.338130 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -34.955694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.955694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.955694 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.004 local terms energy: -22.619846 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -4.784 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: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -32.665480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.665480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.665480 (E_RNA) where: Base-Base interactions energy: -10.163 where: short stacking energy: -10.163 Base-Backbone interact. energy: -0.043 local terms energy: -22.459260 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -30.191962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.191962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.191962 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.003 local terms energy: -21.515888 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -2.653 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: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -33.550330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.550330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.550330 (E_RNA) where: Base-Base interactions energy: -8.451 where: short stacking energy: -8.451 Base-Backbone interact. energy: -0.000 local terms energy: -25.099577 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -3.494 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: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -33.544864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.544864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.544864 (E_RNA) where: Base-Base interactions energy: -9.864 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.000 local terms energy: -23.680326 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -30.307611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.307611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.307611 (E_RNA) where: Base-Base interactions energy: -13.673 where: short stacking energy: -13.673 Base-Backbone interact. energy: -0.000 local terms energy: -16.634779 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: 2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -43.254297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.254297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.254297 (E_RNA) where: Base-Base interactions energy: -16.062 where: short stacking energy: -16.062 Base-Backbone interact. energy: -0.005 local terms energy: -27.187206 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -42.910956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.910956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.910956 (E_RNA) where: Base-Base interactions energy: -18.471 where: short stacking energy: -13.310 Base-Backbone interact. energy: -0.031 local terms energy: -24.409872 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -3.589 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: 7 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -39.553507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.553507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.553507 (E_RNA) where: Base-Base interactions energy: -17.095 where: short stacking energy: -17.095 Base-Backbone interact. energy: -0.000 local terms energy: -22.458413 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -36.970381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.970381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.970381 (E_RNA) where: Base-Base interactions energy: -14.057 where: short stacking energy: -14.057 Base-Backbone interact. energy: -0.000 local terms energy: -22.912741 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.570 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -3.475 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: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -34.835064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.835064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.835064 (E_RNA) where: Base-Base interactions energy: -16.798 where: short stacking energy: -16.798 Base-Backbone interact. energy: -0.099 local terms energy: -17.938013 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -2.115 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -33.459765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.459765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.459765 (E_RNA) where: Base-Base interactions energy: -14.101 where: short stacking energy: -14.101 Base-Backbone interact. energy: -0.065 local terms energy: -19.293853 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -29.907041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.907041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.907041 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.042 local terms energy: -22.663638 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -4.529 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: 8, replica: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -28.206655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.206655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.206655 (E_RNA) where: Base-Base interactions energy: -6.358 where: short stacking energy: -6.358 Base-Backbone interact. energy: -0.003 local terms energy: -21.844874 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -29.104093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.104093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.104093 (E_RNA) where: Base-Base interactions energy: -9.263 where: short stacking energy: -9.263 Base-Backbone interact. energy: -0.000 local terms energy: -19.841282 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -27.105822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.105822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.105822 (E_RNA) where: Base-Base interactions energy: -5.808 where: short stacking energy: -5.808 Base-Backbone interact. energy: -0.008 local terms energy: -21.290020 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.731 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -37.229145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.229145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.229145 (E_RNA) where: Base-Base interactions energy: -13.002 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.010 local terms energy: -24.217561 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.761 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: 338 Temperature: 0.950000 Total energy: -34.423195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.423195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.423195 (E_RNA) where: Base-Base interactions energy: -12.405 where: short stacking energy: -12.405 Base-Backbone interact. energy: -0.000 local terms energy: -22.017864 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -40.109400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.109400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.109400 (E_RNA) where: Base-Base interactions energy: -14.654 where: short stacking energy: -14.654 Base-Backbone interact. energy: -0.000 local terms energy: -25.455599 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -36.040346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.040346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.040346 (E_RNA) where: Base-Base interactions energy: -15.472 where: short stacking energy: -15.472 Base-Backbone interact. energy: -0.090 local terms energy: -20.478861 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -3.017 flat angles P-C4'-P energy: -1.911 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: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -36.387680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.387680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.387680 (E_RNA) where: Base-Base interactions energy: -15.900 where: short stacking energy: -15.900 Base-Backbone interact. energy: -0.001 local terms energy: -20.486522 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.027 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -29.909918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.909918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.909918 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.002 local terms energy: -20.017466 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.314 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: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -31.954118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.954118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.954118 (E_RNA) where: Base-Base interactions energy: -13.991 where: short stacking energy: -13.991 Base-Backbone interact. energy: -0.082 local terms energy: -17.881260 where: bonds (distance) C4'-P energy: -2.031 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -4.889 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: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -34.345521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.345521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.345521 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.000 local terms energy: -21.701681 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -1.656 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -38.151211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.151211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.151211 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.001 local terms energy: -26.396515 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -3.754 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: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -26.602138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.602138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.602138 (E_RNA) where: Base-Base interactions energy: -6.823 where: short stacking energy: -6.823 Base-Backbone interact. energy: -0.001 local terms energy: -19.778487 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -39.227181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227181 (E_RNA) where: Base-Base interactions energy: -12.321 where: short stacking energy: -12.321 Base-Backbone interact. energy: -0.000 local terms energy: -26.905943 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -5.192 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: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -40.631153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.631153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.631153 (E_RNA) where: Base-Base interactions energy: -13.965 where: short stacking energy: -13.965 Base-Backbone interact. energy: -0.004 local terms energy: -26.662906 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -32.741475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.741475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.741475 (E_RNA) where: Base-Base interactions energy: -12.799 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.000 local terms energy: -19.942587 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -1.933 flat angles P-C4'-P energy: -4.747 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: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -35.235457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.235457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.235457 (E_RNA) where: Base-Base interactions energy: -14.601 where: short stacking energy: -14.601 Base-Backbone interact. energy: -0.001 local terms energy: -20.633137 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -34.277592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.277592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.277592 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.005 local terms energy: -21.273645 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -3.544 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: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -38.409533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409533 (E_RNA) where: Base-Base interactions energy: -14.421 where: short stacking energy: -14.421 Base-Backbone interact. energy: -0.097 local terms energy: -23.890715 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.402 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: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -32.229661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.229661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.229661 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -13.410 Base-Backbone interact. energy: -0.002 local terms energy: -18.817459 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -29.255376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.255376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.255376 (E_RNA) where: Base-Base interactions energy: -9.985 where: short stacking energy: -9.985 Base-Backbone interact. energy: -0.101 local terms energy: -19.169442 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: 1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -29.654405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.654405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.654405 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.013 local terms energy: -19.502442 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -5.778 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: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -27.225606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.225606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.225606 (E_RNA) where: Base-Base interactions energy: -7.107 where: short stacking energy: -7.107 Base-Backbone interact. energy: 0.166 local terms energy: -20.284745 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.023 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: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -42.333436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.333436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.333436 (E_RNA) where: Base-Base interactions energy: -17.803 where: short stacking energy: -17.803 Base-Backbone interact. energy: -0.001 local terms energy: -24.530059 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -36.188000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.188000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.188000 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -12.928 Base-Backbone interact. energy: -0.000 local terms energy: -24.360284 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -36.959775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.959775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.959775 (E_RNA) where: Base-Base interactions energy: -14.750 where: short stacking energy: -14.950 Base-Backbone interact. energy: -0.084 local terms energy: -22.126231 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.391 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: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -36.952828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.952828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.952828 (E_RNA) where: Base-Base interactions energy: -12.413 where: short stacking energy: -12.413 Base-Backbone interact. energy: -0.000 local terms energy: -24.539706 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -4.767 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: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -33.831231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.831231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.831231 (E_RNA) where: Base-Base interactions energy: -11.668 where: short stacking energy: -11.668 Base-Backbone interact. energy: -0.109 local terms energy: -22.053881 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -35.480943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.480943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.480943 (E_RNA) where: Base-Base interactions energy: -11.973 where: short stacking energy: -11.973 Base-Backbone interact. energy: -0.001 local terms energy: -23.506051 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.035 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: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -29.799903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.799903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.799903 (E_RNA) where: Base-Base interactions energy: -9.417 where: short stacking energy: -9.417 Base-Backbone interact. energy: -0.000 local terms energy: -20.382943 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -29.473433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.473433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.473433 (E_RNA) where: Base-Base interactions energy: -9.197 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.117 local terms energy: -20.160300 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -4.621 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: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -26.727985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.727985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.727985 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.123 local terms energy: -18.867690 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -3.146 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: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -29.804271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.804271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.804271 (E_RNA) where: Base-Base interactions energy: -11.434 where: short stacking energy: -11.434 Base-Backbone interact. energy: -0.099 local terms energy: -18.271492 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -2.031 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: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -44.674481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.674481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.674481 (E_RNA) where: Base-Base interactions energy: -17.576 where: short stacking energy: -17.576 Base-Backbone interact. energy: -0.000 local terms energy: -27.098963 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.689 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: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -39.247401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247401 (E_RNA) where: Base-Base interactions energy: -13.627 where: short stacking energy: -13.627 Base-Backbone interact. energy: -0.005 local terms energy: -25.615896 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.119 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: 3, replica: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -37.041894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.041894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.041894 (E_RNA) where: Base-Base interactions energy: -12.489 where: short stacking energy: -12.489 Base-Backbone interact. energy: -0.002 local terms energy: -24.550704 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -3.927 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: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -34.676535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.676535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.676535 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.000 local terms energy: -20.665103 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -3.964 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: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -34.527845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.527845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.527845 (E_RNA) where: Base-Base interactions energy: -12.148 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.000 local terms energy: -22.380139 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -2.651 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: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -33.360430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.360430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.360430 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.000 local terms energy: -21.240909 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -3.342 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -1.795 tors. eta vs tors. theta energy: -5.892 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: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -35.514361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.514361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.514361 (E_RNA) where: Base-Base interactions energy: -9.851 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.000 local terms energy: -25.663159 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -5.288 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: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -34.032600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.032600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.032600 (E_RNA) where: Base-Base interactions energy: -10.118 where: short stacking energy: -10.118 Base-Backbone interact. energy: -0.009 local terms energy: -23.905626 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.092 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: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -30.135750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.135750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.135750 (E_RNA) where: Base-Base interactions energy: -7.726 where: short stacking energy: -7.790 Base-Backbone interact. energy: -0.010 local terms energy: -22.399998 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -31.309120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.309120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.309120 (E_RNA) where: Base-Base interactions energy: -5.481 where: short stacking energy: -5.481 Base-Backbone interact. energy: -0.000 local terms energy: -25.827732 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.306 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: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -35.245252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.245252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.245252 (E_RNA) where: Base-Base interactions energy: -16.075 where: short stacking energy: -16.075 Base-Backbone interact. energy: -0.002 local terms energy: -19.168511 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.111 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -35.832658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.832658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.832658 (E_RNA) where: Base-Base interactions energy: -12.978 where: short stacking energy: -12.978 Base-Backbone interact. energy: -0.229 local terms energy: -22.625483 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.032 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: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -36.337227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.337227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.337227 (E_RNA) where: Base-Base interactions energy: -13.392 where: short stacking energy: -13.392 Base-Backbone interact. energy: -0.084 local terms energy: -22.861390 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.992 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: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -37.010616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.010616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.010616 (E_RNA) where: Base-Base interactions energy: -15.496 where: short stacking energy: -15.496 Base-Backbone interact. energy: -0.000 local terms energy: -21.514828 where: bonds (distance) C4'-P energy: -4.086 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -2.048 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -36.540870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.540870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.540870 (E_RNA) where: Base-Base interactions energy: -16.564 where: short stacking energy: -16.564 Base-Backbone interact. energy: -0.000 local terms energy: -19.976759 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -30.067172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.067172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.067172 (E_RNA) where: Base-Base interactions energy: -7.486 where: short stacking energy: -7.486 Base-Backbone interact. energy: -0.003 local terms energy: -22.578026 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -30.065878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.065878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.065878 (E_RNA) where: Base-Base interactions energy: -7.733 where: short stacking energy: -7.733 Base-Backbone interact. energy: -0.010 local terms energy: -22.323124 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -31.686528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.686528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.686528 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.098 local terms energy: -22.589523 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -32.655422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.655422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.655422 (E_RNA) where: Base-Base interactions energy: -13.891 where: short stacking energy: -13.891 Base-Backbone interact. energy: -0.019 local terms energy: -18.746241 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -28.172180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.172180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.172180 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.005 local terms energy: -16.369158 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -4.822 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: 1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -43.475054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.475054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.475054 (E_RNA) where: Base-Base interactions energy: -14.618 where: short stacking energy: -14.618 Base-Backbone interact. energy: -0.000 local terms energy: -28.856631 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -6.436 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: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -37.025168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.025168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.025168 (E_RNA) where: Base-Base interactions energy: -17.844 where: short stacking energy: -18.099 Base-Backbone interact. energy: -0.000 local terms energy: -19.181229 where: bonds (distance) C4'-P energy: -3.203 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -1.893 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -41.960641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.960641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.960641 (E_RNA) where: Base-Base interactions energy: -15.340 where: short stacking energy: -15.340 Base-Backbone interact. energy: -0.091 local terms energy: -26.530246 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -4.238 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: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -31.783305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.783305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.783305 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -12.144 Base-Backbone interact. energy: -0.029 local terms energy: -19.611107 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -34.257891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.257891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.257891 (E_RNA) where: Base-Base interactions energy: -8.585 where: short stacking energy: -8.585 Base-Backbone interact. energy: -1.019 local terms energy: -24.653793 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -3.868 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: 343 Temperature: 1.150000 Total energy: -31.782712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.782712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.782712 (E_RNA) where: Base-Base interactions energy: -12.637 where: short stacking energy: -12.637 Base-Backbone interact. energy: -0.008 local terms energy: -19.137779 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.832 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: 343 Temperature: 1.200000 Total energy: -37.934697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.934697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.934697 (E_RNA) where: Base-Base interactions energy: -16.416 where: short stacking energy: -16.416 Base-Backbone interact. energy: -0.000 local terms energy: -21.518778 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -30.048196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.048196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.048196 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.109 local terms energy: -23.978788 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -2.602 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: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -31.305737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.305737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.305737 (E_RNA) where: Base-Base interactions energy: -13.777 where: short stacking energy: -13.777 Base-Backbone interact. energy: -0.021 local terms energy: -17.507056 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -1.397 flat angles P-C4'-P energy: -2.868 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: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -31.312479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.312479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.312479 (E_RNA) where: Base-Base interactions energy: -14.162 where: short stacking energy: -14.162 Base-Backbone interact. energy: -0.095 local terms energy: -17.055691 where: bonds (distance) C4'-P energy: -1.535 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -1.160 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -40.918161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.918161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.918161 (E_RNA) where: Base-Base interactions energy: -15.458 where: short stacking energy: -15.458 Base-Backbone interact. energy: -0.000 local terms energy: -25.460087 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -40.984374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.984374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.984374 (E_RNA) where: Base-Base interactions energy: -14.613 where: short stacking energy: -14.613 Base-Backbone interact. energy: -0.001 local terms energy: -26.370611 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -39.469530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.469530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.469530 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.013 local terms energy: -26.735519 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -40.112452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.112452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.112452 (E_RNA) where: Base-Base interactions energy: -16.454 where: short stacking energy: -16.454 Base-Backbone interact. energy: -0.000 local terms energy: -23.658687 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -35.768191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.768191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.768191 (E_RNA) where: Base-Base interactions energy: -13.274 where: short stacking energy: -13.274 Base-Backbone interact. energy: -0.017 local terms energy: -22.476328 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -1.441 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: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -35.173366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.173366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.173366 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.000 local terms energy: -21.864908 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -30.739339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.739339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.739339 (E_RNA) where: Base-Base interactions energy: -13.116 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.000 local terms energy: -17.622877 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.681 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -3.463 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: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -36.482744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.482744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.482744 (E_RNA) where: Base-Base interactions energy: -13.835 where: short stacking energy: -13.835 Base-Backbone interact. energy: -0.000 local terms energy: -22.647514 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -3.489 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -29.447112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.447112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.447112 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.088 local terms energy: -21.020330 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -2.692 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: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -29.245419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.245419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.245419 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: 0.486 local terms energy: -17.185358 where: bonds (distance) C4'-P energy: -2.413 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -3.993 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: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -41.799091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.799091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.799091 (E_RNA) where: Base-Base interactions energy: -15.262 where: short stacking energy: -15.262 Base-Backbone interact. energy: -0.000 local terms energy: -26.537300 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -4.883 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: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -39.240340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.240340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.240340 (E_RNA) where: Base-Base interactions energy: -13.945 where: short stacking energy: -13.945 Base-Backbone interact. energy: -0.000 local terms energy: -25.294714 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.595 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: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -30.461303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.461303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.461303 (E_RNA) where: Base-Base interactions energy: -9.240 where: short stacking energy: -9.240 Base-Backbone interact. energy: -0.000 local terms energy: -21.221717 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -3.448 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: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -34.980217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.980217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.980217 (E_RNA) where: Base-Base interactions energy: -7.990 where: short stacking energy: -7.990 Base-Backbone interact. energy: -0.001 local terms energy: -26.988489 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -32.732833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.732833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.732833 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.051 local terms energy: -20.425151 where: bonds (distance) C4'-P energy: -4.334 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -31.366945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.366945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.366945 (E_RNA) where: Base-Base interactions energy: -8.488 where: short stacking energy: -8.488 Base-Backbone interact. energy: -0.323 local terms energy: -22.555651 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -34.154244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.154244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.154244 (E_RNA) where: Base-Base interactions energy: -11.534 where: short stacking energy: -11.534 Base-Backbone interact. energy: -0.000 local terms energy: -22.620023 where: bonds (distance) C4'-P energy: -1.585 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -5.976 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: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -36.739933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.739933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.739933 (E_RNA) where: Base-Base interactions energy: -13.919 where: short stacking energy: -13.919 Base-Backbone interact. energy: -0.000 local terms energy: -22.821213 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -2.644 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: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -30.065073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.065073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.065073 (E_RNA) where: Base-Base interactions energy: -9.155 where: short stacking energy: -4.821 Base-Backbone interact. energy: -0.071 local terms energy: -20.839783 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -30.620135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.620135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.620135 (E_RNA) where: Base-Base interactions energy: -9.805 where: short stacking energy: -9.805 Base-Backbone interact. energy: -0.000 local terms energy: -20.814645 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -40.578130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.578130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.578130 (E_RNA) where: Base-Base interactions energy: -13.686 where: short stacking energy: -13.686 Base-Backbone interact. energy: -0.000 local terms energy: -26.891951 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.454 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: 9 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -38.073023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.073023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.073023 (E_RNA) where: Base-Base interactions energy: -13.101 where: short stacking energy: -13.101 Base-Backbone interact. energy: -0.000 local terms energy: -24.972041 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -4.829 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: 3, replica: 5 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -37.093141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.093141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.093141 (E_RNA) where: Base-Base interactions energy: -14.220 where: short stacking energy: -14.220 Base-Backbone interact. energy: -0.003 local terms energy: -22.870560 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -2.703 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: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -38.530837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.530837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.530837 (E_RNA) where: Base-Base interactions energy: -17.262 where: short stacking energy: -17.262 Base-Backbone interact. energy: -0.000 local terms energy: -21.268417 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -30.876381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.876381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.876381 (E_RNA) where: Base-Base interactions energy: -11.134 where: short stacking energy: -11.134 Base-Backbone interact. energy: -0.008 local terms energy: -19.734213 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -36.693628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.693628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.693628 (E_RNA) where: Base-Base interactions energy: -11.179 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.091 local terms energy: -25.424085 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -28.931939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.931939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.931939 (E_RNA) where: Base-Base interactions energy: -13.511 where: short stacking energy: -13.511 Base-Backbone interact. energy: -0.009 local terms energy: -15.412446 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -27.423365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.423365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.423365 (E_RNA) where: Base-Base interactions energy: -9.704 where: short stacking energy: -9.704 Base-Backbone interact. energy: 0.790 local terms energy: -18.510043 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: 0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -29.809712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.809712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.809712 (E_RNA) where: Base-Base interactions energy: -6.023 where: short stacking energy: -6.023 Base-Backbone interact. energy: -0.110 local terms energy: -23.676307 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -1.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -30.816157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.816157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.816157 (E_RNA) where: Base-Base interactions energy: -10.674 where: short stacking energy: -10.674 Base-Backbone interact. energy: 0.488 local terms energy: -20.629939 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -0.743 tors. eta vs tors. theta energy: -2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -39.749765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.749765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.749765 (E_RNA) where: Base-Base interactions energy: -15.461 where: short stacking energy: -15.461 Base-Backbone interact. energy: -0.004 local terms energy: -24.284328 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.928 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: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -40.612296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.612296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.612296 (E_RNA) where: Base-Base interactions energy: -14.741 where: short stacking energy: -14.741 Base-Backbone interact. energy: -0.004 local terms energy: -25.867406 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -37.787170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.787170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.787170 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.352 Base-Backbone interact. energy: -0.001 local terms energy: -25.433693 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -38.500482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.500482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.500482 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.002 local terms energy: -28.574212 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.889 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: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -34.438421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.438421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.438421 (E_RNA) where: Base-Base interactions energy: -13.497 where: short stacking energy: -13.497 Base-Backbone interact. energy: -0.030 local terms energy: -20.911262 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -31.858937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.858937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.858937 (E_RNA) where: Base-Base interactions energy: -8.913 where: short stacking energy: -8.913 Base-Backbone interact. energy: -0.015 local terms energy: -22.931718 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -30.630647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.630647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.630647 (E_RNA) where: Base-Base interactions energy: -12.122 where: short stacking energy: -12.122 Base-Backbone interact. energy: -0.053 local terms energy: -18.455319 where: bonds (distance) C4'-P energy: -4.407 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -2.513 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -27.422776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.422776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.422776 (E_RNA) where: Base-Base interactions energy: -9.377 where: short stacking energy: -9.377 Base-Backbone interact. energy: -0.102 local terms energy: -17.943290 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -1.207 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -29.591179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.591179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.591179 (E_RNA) where: Base-Base interactions energy: -4.917 where: short stacking energy: -5.382 Base-Backbone interact. energy: -2.370 local terms energy: -22.303522 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.544 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: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -31.161405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.161405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.161405 (E_RNA) where: Base-Base interactions energy: -9.074 where: short stacking energy: -9.074 Base-Backbone interact. energy: -0.001 local terms energy: -22.086793 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -2.760 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: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -40.400581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.400581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.400581 (E_RNA) where: Base-Base interactions energy: -17.142 where: short stacking energy: -17.142 Base-Backbone interact. energy: -0.001 local terms energy: -23.257201 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -4.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -36.251494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.251494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.251494 (E_RNA) where: Base-Base interactions energy: -11.711 where: short stacking energy: -11.711 Base-Backbone interact. energy: -0.012 local terms energy: -24.528778 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -5.106 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: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -38.844129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.844129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.844129 (E_RNA) where: Base-Base interactions energy: -13.627 where: short stacking energy: -13.627 Base-Backbone interact. energy: -0.010 local terms energy: -25.207786 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.212 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: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -33.411017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.411017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.411017 (E_RNA) where: Base-Base interactions energy: -10.257 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.009 local terms energy: -23.145461 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -30.066911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.066911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.066911 (E_RNA) where: Base-Base interactions energy: -7.550 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.395 local terms energy: -22.121121 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -34.862369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.862369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.862369 (E_RNA) where: Base-Base interactions energy: -13.113 where: short stacking energy: -13.113 Base-Backbone interact. energy: -0.012 local terms energy: -21.736937 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -37.077712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.077712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.077712 (E_RNA) where: Base-Base interactions energy: -14.217 where: short stacking energy: -14.217 Base-Backbone interact. energy: -0.000 local terms energy: -22.860937 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.554 flat angles C4'-P-C4' energy: -3.408 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -5.308 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: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -33.291982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.291982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.291982 (E_RNA) where: Base-Base interactions energy: -11.335 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.092 local terms energy: -21.865347 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -41.020663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.020663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.020663 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.000 local terms energy: -26.657848 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -4.965 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: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -35.786728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.786728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.786728 (E_RNA) where: Base-Base interactions energy: -12.579 where: short stacking energy: -12.579 Base-Backbone interact. energy: -0.002 local terms energy: -23.205902 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -44.833872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.833872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.833872 (E_RNA) where: Base-Base interactions energy: -17.123 where: short stacking energy: -17.123 Base-Backbone interact. energy: -0.000 local terms energy: -27.710530 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -7.065 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: 349 Temperature: 0.950000 Total energy: -40.839329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.839329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.839329 (E_RNA) where: Base-Base interactions energy: -14.197 where: short stacking energy: -14.197 Base-Backbone interact. energy: -0.000 local terms energy: -26.642191 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -38.554121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.554121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.554121 (E_RNA) where: Base-Base interactions energy: -13.002 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.051 local terms energy: -25.500738 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.083 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: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -31.432255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.432255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.432255 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.196 Base-Backbone interact. energy: -0.009 local terms energy: -21.227172 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -35.885109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.885109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.885109 (E_RNA) where: Base-Base interactions energy: -12.746 where: short stacking energy: -12.746 Base-Backbone interact. energy: -0.025 local terms energy: -23.114093 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -4.360 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: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -40.381562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381562 (E_RNA) where: Base-Base interactions energy: -18.675 where: short stacking energy: -18.675 Base-Backbone interact. energy: -0.000 local terms energy: -21.706810 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -3.356 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: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -39.097828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.097828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.097828 (E_RNA) where: Base-Base interactions energy: -16.235 where: short stacking energy: -16.235 Base-Backbone interact. energy: -0.030 local terms energy: -22.832726 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -2.370 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: 8, replica: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -32.900383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.900383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.900383 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.004 local terms energy: -19.948777 where: bonds (distance) C4'-P energy: -3.778 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -3.257 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: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -29.950953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.950953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.950953 (E_RNA) where: Base-Base interactions energy: -8.048 where: short stacking energy: -8.048 Base-Backbone interact. energy: -0.003 local terms energy: -21.899753 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -30.965698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.965698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.965698 (E_RNA) where: Base-Base interactions energy: -13.299 where: short stacking energy: -13.299 Base-Backbone interact. energy: -0.004 local terms energy: -17.662675 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -2.759 flat angles P-C4'-P energy: -4.344 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: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -38.486760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.486760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.486760 (E_RNA) where: Base-Base interactions energy: -13.204 where: short stacking energy: -13.204 Base-Backbone interact. energy: -0.008 local terms energy: -25.275499 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -37.850292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.850292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.850292 (E_RNA) where: Base-Base interactions energy: -14.069 where: short stacking energy: -14.069 Base-Backbone interact. energy: -0.003 local terms energy: -23.778999 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -35.267756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267756 (E_RNA) where: Base-Base interactions energy: -10.857 where: short stacking energy: -10.857 Base-Backbone interact. energy: -0.094 local terms energy: -24.316582 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -37.617175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.617175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.617175 (E_RNA) where: Base-Base interactions energy: -10.450 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.000 local terms energy: -27.166994 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -5.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -33.667479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.667479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.667479 (E_RNA) where: Base-Base interactions energy: -11.835 where: short stacking energy: -11.835 Base-Backbone interact. energy: -0.002 local terms energy: -21.830443 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -35.172253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.172253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.172253 (E_RNA) where: Base-Base interactions energy: -13.506 where: short stacking energy: -13.506 Base-Backbone interact. energy: -0.059 local terms energy: -21.607922 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -36.465289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.465289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.465289 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.000 local terms energy: -24.694233 where: bonds (distance) C4'-P energy: -4.616 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -29.424869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.424869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.424869 (E_RNA) where: Base-Base interactions energy: -12.727 where: short stacking energy: -12.727 Base-Backbone interact. energy: 1.043 local terms energy: -17.741030 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.248 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -1.805 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: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -38.860305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860305 (E_RNA) where: Base-Base interactions energy: -18.246 where: short stacking energy: -18.246 Base-Backbone interact. energy: 0.101 local terms energy: -20.715725 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -2.032 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -29.403383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.403383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.403383 (E_RNA) where: Base-Base interactions energy: -8.682 where: short stacking energy: -8.682 Base-Backbone interact. energy: -0.001 local terms energy: -20.720206 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -39.590909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.590909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.590909 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.000 local terms energy: -27.045138 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -4.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -33.773730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.773730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.773730 (E_RNA) where: Base-Base interactions energy: -13.156 where: short stacking energy: -13.156 Base-Backbone interact. energy: -0.023 local terms energy: -20.594795 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.766 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -38.782841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.782841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.782841 (E_RNA) where: Base-Base interactions energy: -13.400 where: short stacking energy: -13.400 Base-Backbone interact. energy: -0.009 local terms energy: -25.374199 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -37.397474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.397474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.397474 (E_RNA) where: Base-Base interactions energy: -13.793 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.000 local terms energy: -23.604224 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.564 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: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -35.793308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.793308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.793308 (E_RNA) where: Base-Base interactions energy: -13.582 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.002 local terms energy: -22.209159 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -33.213212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.213212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.213212 (E_RNA) where: Base-Base interactions energy: -9.790 where: short stacking energy: -9.790 Base-Backbone interact. energy: -0.002 local terms energy: -23.420836 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -33.698386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.698386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.698386 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.000 local terms energy: -21.766990 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -31.796984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.796984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.796984 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.000 local terms energy: -23.068308 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -1.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -31.489721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.489721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.489721 (E_RNA) where: Base-Base interactions energy: -9.734 where: short stacking energy: -9.734 Base-Backbone interact. energy: -0.000 local terms energy: -21.755550 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -3.839 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: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -32.822342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.822342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.822342 (E_RNA) where: Base-Base interactions energy: -7.847 where: short stacking energy: -7.847 Base-Backbone interact. energy: -0.000 local terms energy: -24.975539 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -39.094631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.094631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.094631 (E_RNA) where: Base-Base interactions energy: -16.844 where: short stacking energy: -16.844 Base-Backbone interact. energy: -0.021 local terms energy: -22.229622 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -39.045187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.045187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.045187 (E_RNA) where: Base-Base interactions energy: -18.111 where: short stacking energy: -18.111 Base-Backbone interact. energy: -0.002 local terms energy: -20.932147 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -33.265385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.265385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.265385 (E_RNA) where: Base-Base interactions energy: -13.076 where: short stacking energy: -13.076 Base-Backbone interact. energy: 1.102 local terms energy: -21.291391 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -41.320658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.320658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.320658 (E_RNA) where: Base-Base interactions energy: -17.527 where: short stacking energy: -17.527 Base-Backbone interact. energy: -0.000 local terms energy: -23.792858 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.159 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: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -37.497364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.497364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.497364 (E_RNA) where: Base-Base interactions energy: -11.940 where: short stacking energy: -11.940 Base-Backbone interact. energy: -0.000 local terms energy: -25.557404 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.857 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: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -29.301077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.301077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.301077 (E_RNA) where: Base-Base interactions energy: -9.497 where: short stacking energy: -9.497 Base-Backbone interact. energy: -0.037 local terms energy: -19.767342 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -1.901 tors. eta vs tors. theta energy: 0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -41.506022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.506022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.506022 (E_RNA) where: Base-Base interactions energy: -14.388 where: short stacking energy: -14.388 Base-Backbone interact. energy: -0.000 local terms energy: -27.117700 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -4.605 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: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -30.721479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721479 (E_RNA) where: Base-Base interactions energy: -9.613 where: short stacking energy: -9.613 Base-Backbone interact. energy: -0.001 local terms energy: -21.106604 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -29.262348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.262348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.262348 (E_RNA) where: Base-Base interactions energy: -8.260 where: short stacking energy: -8.260 Base-Backbone interact. energy: -0.112 local terms energy: -20.889998 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -27.874963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.874963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.874963 (E_RNA) where: Base-Base interactions energy: -11.759 where: short stacking energy: -11.759 Base-Backbone interact. energy: -0.090 local terms energy: -16.026099 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -3.048 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -1.381 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -43.079799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.079799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.079799 (E_RNA) where: Base-Base interactions energy: -16.299 where: short stacking energy: -16.299 Base-Backbone interact. energy: -0.000 local terms energy: -26.781108 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -5.416 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: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -34.945609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945609 (E_RNA) where: Base-Base interactions energy: -12.014 where: short stacking energy: -12.014 Base-Backbone interact. energy: -0.101 local terms energy: -22.830433 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -3.961 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: 3, replica: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -40.535709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.535709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.535709 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.001 local terms energy: -27.237322 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -6.169 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: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -36.950200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.950200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.950200 (E_RNA) where: Base-Base interactions energy: -12.309 where: short stacking energy: -12.309 Base-Backbone interact. energy: -0.178 local terms energy: -24.463870 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -33.404191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.404191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.404191 (E_RNA) where: Base-Base interactions energy: -14.514 where: short stacking energy: -14.514 Base-Backbone interact. energy: -0.082 local terms energy: -18.808212 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.383 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: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -32.356775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.356775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.356775 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.703 Base-Backbone interact. energy: -0.068 local terms energy: -21.585241 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -4.422 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: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -33.631621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631621 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.000 local terms energy: -21.797444 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.184 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: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -30.381949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.381949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.381949 (E_RNA) where: Base-Base interactions energy: -14.303 where: short stacking energy: -14.303 Base-Backbone interact. energy: -0.006 local terms energy: -16.073733 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: 0.104 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: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -27.861054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.861054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.861054 (E_RNA) where: Base-Base interactions energy: -9.397 where: short stacking energy: -9.397 Base-Backbone interact. energy: -0.087 local terms energy: -18.376712 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -29.462158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.462158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.462158 (E_RNA) where: Base-Base interactions energy: -6.141 where: short stacking energy: -6.141 Base-Backbone interact. energy: -0.104 local terms energy: -23.217039 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -37.668548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.668548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.668548 (E_RNA) where: Base-Base interactions energy: -14.715 where: short stacking energy: -14.715 Base-Backbone interact. energy: 0.129 local terms energy: -23.081893 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -35.604298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.604298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.604298 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -13.508 Base-Backbone interact. energy: -0.027 local terms energy: -22.088314 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.196 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -4.286 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: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -36.472492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.472492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.472492 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.000 local terms energy: -23.557385 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.401 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: 4, replica: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -37.133606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.133606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.133606 (E_RNA) where: Base-Base interactions energy: -13.188 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.464 local terms energy: -23.481804 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -36.510270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.510270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.510270 (E_RNA) where: Base-Base interactions energy: -14.006 where: short stacking energy: -14.006 Base-Backbone interact. energy: -0.000 local terms energy: -22.504656 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -36.257176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.257176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.257176 (E_RNA) where: Base-Base interactions energy: -12.918 where: short stacking energy: -12.918 Base-Backbone interact. energy: -0.030 local terms energy: -23.308922 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -1.649 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: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -34.002806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.002806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.002806 (E_RNA) where: Base-Base interactions energy: -12.635 where: short stacking energy: -12.635 Base-Backbone interact. energy: -0.001 local terms energy: -21.367435 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -29.204297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.204297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.204297 (E_RNA) where: Base-Base interactions energy: -13.424 where: short stacking energy: -13.424 Base-Backbone interact. energy: -0.283 local terms energy: -15.496974 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.246 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -0.759 tors. eta vs tors. theta energy: 0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -30.965723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.965723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.965723 (E_RNA) where: Base-Base interactions energy: -8.468 where: short stacking energy: -8.468 Base-Backbone interact. energy: -0.016 local terms energy: -22.482136 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -31.626155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.626155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.626155 (E_RNA) where: Base-Base interactions energy: -12.980 where: short stacking energy: -12.980 Base-Backbone interact. energy: 0.474 local terms energy: -19.120982 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: 0.239 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -36.915961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.915961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.915961 (E_RNA) where: Base-Base interactions energy: -13.353 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.006 local terms energy: -23.557510 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -2.301 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: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -33.505417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.505417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.505417 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.017 local terms energy: -24.283443 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.632 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -3.244 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: 355 Temperature: 1.000000 Total energy: -33.859247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.859247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.859247 (E_RNA) where: Base-Base interactions energy: -9.092 where: short stacking energy: -9.092 Base-Backbone interact. energy: -0.000 local terms energy: -24.767317 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -5.449 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: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -35.967904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.967904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.967904 (E_RNA) where: Base-Base interactions energy: -14.770 where: short stacking energy: -14.770 Base-Backbone interact. energy: -0.000 local terms energy: -21.198034 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -38.643741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.643741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.643741 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.063 local terms energy: -25.454511 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -29.851108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.851108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.851108 (E_RNA) where: Base-Base interactions energy: -9.983 where: short stacking energy: -9.983 Base-Backbone interact. energy: -0.144 local terms energy: -19.724473 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -35.787096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.787096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.787096 (E_RNA) where: Base-Base interactions energy: -11.702 where: short stacking energy: -11.702 Base-Backbone interact. energy: -0.043 local terms energy: -24.041657 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.629 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: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -29.953944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.953944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.953944 (E_RNA) where: Base-Base interactions energy: -10.552 where: short stacking energy: -10.552 Base-Backbone interact. energy: -0.081 local terms energy: -19.320235 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: 0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -30.000056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.000056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.000056 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -10.136 Base-Backbone interact. energy: -0.002 local terms energy: -19.861933 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.586 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: 10, replica: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -28.890124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890124 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: 0.207 local terms energy: -16.382172 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -1.697 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: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -37.789103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.789103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.789103 (E_RNA) where: Base-Base interactions energy: -12.404 where: short stacking energy: -12.404 Base-Backbone interact. energy: -0.082 local terms energy: -25.303084 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -5.154 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: 356 Temperature: 0.950000 Total energy: -38.603531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.603531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.603531 (E_RNA) where: Base-Base interactions energy: -16.900 where: short stacking energy: -16.900 Base-Backbone interact. energy: -0.000 local terms energy: -21.703436 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: 0.413 tors. eta vs tors. theta energy: -5.786 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: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -38.783928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.783928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.783928 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.771 Base-Backbone interact. energy: -0.054 local terms energy: -25.000694 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -33.279672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.279672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.279672 (E_RNA) where: Base-Base interactions energy: -13.721 where: short stacking energy: -13.721 Base-Backbone interact. energy: -0.000 local terms energy: -19.558618 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -34.859214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.859214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.859214 (E_RNA) where: Base-Base interactions energy: -11.788 where: short stacking energy: -11.788 Base-Backbone interact. energy: -0.002 local terms energy: -23.069411 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -1.756 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: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -36.250178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.250178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.250178 (E_RNA) where: Base-Base interactions energy: -13.963 where: short stacking energy: -13.963 Base-Backbone interact. energy: -0.033 local terms energy: -22.254473 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -36.842197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.842197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.842197 (E_RNA) where: Base-Base interactions energy: -15.729 where: short stacking energy: -15.729 Base-Backbone interact. energy: -0.000 local terms energy: -21.113055 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.225 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: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -35.642597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.642597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.642597 (E_RNA) where: Base-Base interactions energy: -9.347 where: short stacking energy: -9.347 Base-Backbone interact. energy: -0.000 local terms energy: -26.295896 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -30.248348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.248348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.248348 (E_RNA) where: Base-Base interactions energy: -8.583 where: short stacking energy: -8.583 Base-Backbone interact. energy: -0.140 local terms energy: -21.525383 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -3.617 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: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -29.876555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.876555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.876555 (E_RNA) where: Base-Base interactions energy: -6.904 where: short stacking energy: -6.904 Base-Backbone interact. energy: -0.011 local terms energy: -22.961095 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -40.335087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.335087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.335087 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.420 local terms energy: -26.148747 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -3.472 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: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -38.682398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.682398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.682398 (E_RNA) where: Base-Base interactions energy: -12.772 where: short stacking energy: -12.772 Base-Backbone interact. energy: -0.000 local terms energy: -25.909929 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -38.445769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.445769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.445769 (E_RNA) where: Base-Base interactions energy: -14.697 where: short stacking energy: -14.697 Base-Backbone interact. energy: -0.000 local terms energy: -23.749034 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -36.833586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.833586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.833586 (E_RNA) where: Base-Base interactions energy: -14.714 where: short stacking energy: -14.714 Base-Backbone interact. energy: -0.002 local terms energy: -22.118093 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -2.429 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: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -36.801841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.801841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.801841 (E_RNA) where: Base-Base interactions energy: -14.232 where: short stacking energy: -14.232 Base-Backbone interact. energy: -0.130 local terms energy: -22.439654 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -33.503035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.503035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.503035 (E_RNA) where: Base-Base interactions energy: -10.464 where: short stacking energy: -9.643 Base-Backbone interact. energy: -0.153 local terms energy: -22.885805 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -31.117933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.117933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.117933 (E_RNA) where: Base-Base interactions energy: -8.989 where: short stacking energy: -8.989 Base-Backbone interact. energy: -0.000 local terms energy: -22.129115 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -32.717179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.717179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.717179 (E_RNA) where: Base-Base interactions energy: -9.380 where: short stacking energy: -9.380 Base-Backbone interact. energy: -0.005 local terms energy: -23.332519 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.325 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: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -30.419028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.419028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.419028 (E_RNA) where: Base-Base interactions energy: -9.500 where: short stacking energy: -9.500 Base-Backbone interact. energy: -0.000 local terms energy: -20.918706 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -29.788252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.788252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.788252 (E_RNA) where: Base-Base interactions energy: -8.439 where: short stacking energy: -8.439 Base-Backbone interact. energy: -0.029 local terms energy: -21.320917 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -4.012 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: 358 Temperature: 0.900000 Total energy: -41.382647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.382647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.382647 (E_RNA) where: Base-Base interactions energy: -16.213 where: short stacking energy: -16.213 Base-Backbone interact. energy: -0.017 local terms energy: -25.153040 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -2.951 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: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -40.238563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.238563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.238563 (E_RNA) where: Base-Base interactions energy: -16.511 where: short stacking energy: -16.511 Base-Backbone interact. energy: -0.000 local terms energy: -23.727136 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -4.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -36.543868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.543868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.543868 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.094 local terms energy: -23.781199 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -33.338429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338429 (E_RNA) where: Base-Base interactions energy: -15.657 where: short stacking energy: -15.657 Base-Backbone interact. energy: -0.072 local terms energy: -17.608916 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -3.170 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: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -32.575146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.575146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.575146 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -11.069 Base-Backbone interact. energy: -0.878 local terms energy: -20.628245 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -30.542976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.542976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.542976 (E_RNA) where: Base-Base interactions energy: -8.090 where: short stacking energy: -8.090 Base-Backbone interact. energy: -0.022 local terms energy: -22.431072 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -31.370199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.370199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.370199 (E_RNA) where: Base-Base interactions energy: -9.369 where: short stacking energy: -9.369 Base-Backbone interact. energy: -0.001 local terms energy: -22.000910 where: bonds (distance) C4'-P energy: -3.514 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -3.726 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: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -29.780234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.780234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.780234 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.001 local terms energy: -19.627093 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -30.134595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.134595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.134595 (E_RNA) where: Base-Base interactions energy: -8.033 where: short stacking energy: -8.033 Base-Backbone interact. energy: -0.002 local terms energy: -22.099021 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -2.078 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -26.809403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.809403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.809403 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: -0.050 local terms energy: -17.928579 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -3.519 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: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -43.267176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.267176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.267176 (E_RNA) where: Base-Base interactions energy: -17.104 where: short stacking energy: -17.104 Base-Backbone interact. energy: -0.000 local terms energy: -26.163557 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -38.458364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.458364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.458364 (E_RNA) where: Base-Base interactions energy: -14.815 where: short stacking energy: -14.815 Base-Backbone interact. energy: -0.075 local terms energy: -23.568926 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -37.104097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.104097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.104097 (E_RNA) where: Base-Base interactions energy: -12.908 where: short stacking energy: -12.908 Base-Backbone interact. energy: -0.007 local terms energy: -24.189463 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -33.631786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631786 (E_RNA) where: Base-Base interactions energy: -14.420 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.000 local terms energy: -19.211244 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -1.366 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -33.387459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387459 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.001 local terms energy: -21.455664 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -4.528 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: 6, replica: 10 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -33.509642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.509642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.509642 (E_RNA) where: Base-Base interactions energy: -11.640 where: short stacking energy: -11.640 Base-Backbone interact. energy: -0.036 local terms energy: -21.833282 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.259 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.624 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: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -34.587885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.587885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.587885 (E_RNA) where: Base-Base interactions energy: -13.330 where: short stacking energy: -13.547 Base-Backbone interact. energy: -0.008 local terms energy: -21.249975 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.383 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: 8, replica: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -31.699397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.699397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.699397 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: -0.003 local terms energy: -20.133339 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -0.925 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: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -29.991953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.991953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.991953 (E_RNA) where: Base-Base interactions energy: -9.965 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.000 local terms energy: -20.027043 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -2.312 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: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -28.780561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.780561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.780561 (E_RNA) where: Base-Base interactions energy: -8.851 where: short stacking energy: -8.851 Base-Backbone interact. energy: -0.277 local terms energy: -19.651665 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: 0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -42.658056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.658056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.658056 (E_RNA) where: Base-Base interactions energy: -15.881 where: short stacking energy: -15.881 Base-Backbone interact. energy: -0.000 local terms energy: -26.777198 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -5.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -34.422027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422027 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.004 local terms energy: -23.780706 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -36.830013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.830013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.830013 (E_RNA) where: Base-Base interactions energy: -12.701 where: short stacking energy: -12.701 Base-Backbone interact. energy: -0.000 local terms energy: -24.129037 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -34.680785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.680785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.680785 (E_RNA) where: Base-Base interactions energy: -14.331 where: short stacking energy: -14.331 Base-Backbone interact. energy: -0.002 local terms energy: -20.348069 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -33.696217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.696217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.696217 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.001 local terms energy: -24.712720 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -4.025 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: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -34.756071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.756071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.756071 (E_RNA) where: Base-Base interactions energy: -14.806 where: short stacking energy: -14.806 Base-Backbone interact. energy: -0.002 local terms energy: -19.947483 where: bonds (distance) C4'-P energy: -2.582 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -35.586992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.586992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.586992 (E_RNA) where: Base-Base interactions energy: -12.140 where: short stacking energy: -12.140 Base-Backbone interact. energy: -0.850 local terms energy: -22.596622 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -33.670336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.670336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.670336 (E_RNA) where: Base-Base interactions energy: -15.773 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.000 local terms energy: -17.897480 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.810 flat angles C4'-P-C4' energy: -0.227 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -28.506576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.506576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.506576 (E_RNA) where: Base-Base interactions energy: -8.000 where: short stacking energy: -8.000 Base-Backbone interact. energy: -0.089 local terms energy: -20.416998 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -4.899 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -27.200655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.200655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.200655 (E_RNA) where: Base-Base interactions energy: -8.880 where: short stacking energy: -8.880 Base-Backbone interact. energy: -0.187 local terms energy: -18.133473 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -3.374 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -4.786 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: 1, replica: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -38.558643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.558643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.558643 (E_RNA) where: Base-Base interactions energy: -13.555 where: short stacking energy: -13.555 Base-Backbone interact. energy: -0.007 local terms energy: -24.997407 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -40.725473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.725473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.725473 (E_RNA) where: Base-Base interactions energy: -15.820 where: short stacking energy: -15.820 Base-Backbone interact. energy: -0.002 local terms energy: -24.903992 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -33.757855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.757855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.757855 (E_RNA) where: Base-Base interactions energy: -8.266 where: short stacking energy: -8.266 Base-Backbone interact. energy: -0.000 local terms energy: -25.491557 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -34.773664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.773664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.773664 (E_RNA) where: Base-Base interactions energy: -12.701 where: short stacking energy: -12.701 Base-Backbone interact. energy: -0.006 local terms energy: -22.067051 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -4.766 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: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -37.364381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.364381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.364381 (E_RNA) where: Base-Base interactions energy: -15.882 where: short stacking energy: -15.882 Base-Backbone interact. energy: -0.001 local terms energy: -21.482100 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -4.144 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: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -30.679409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.679409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.679409 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.007 local terms energy: -23.167194 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -33.039531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.039531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.039531 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.012 local terms energy: -19.031852 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.197 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: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -25.660641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.660641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.660641 (E_RNA) where: Base-Base interactions energy: -2.399 where: short stacking energy: -2.399 Base-Backbone interact. energy: -0.197 local terms energy: -23.064415 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.743 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: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -29.559037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.559037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.559037 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.092 local terms energy: -19.452184 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -30.910716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910716 (E_RNA) where: Base-Base interactions energy: -8.967 where: short stacking energy: -8.967 Base-Backbone interact. energy: -0.018 local terms energy: -21.925770 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -4.500 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: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -37.614801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.614801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.614801 (E_RNA) where: Base-Base interactions energy: -15.555 where: short stacking energy: -13.043 Base-Backbone interact. energy: -0.003 local terms energy: -22.056804 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -35.890120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.890120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.890120 (E_RNA) where: Base-Base interactions energy: -13.524 where: short stacking energy: -13.524 Base-Backbone interact. energy: -0.051 local terms energy: -22.315135 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -3.315 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -34.292601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.292601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.292601 (E_RNA) where: Base-Base interactions energy: -10.299 where: short stacking energy: -10.299 Base-Backbone interact. energy: -0.005 local terms energy: -23.988907 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -5.013 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: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -35.348721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.348721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.348721 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -13.986 Base-Backbone interact. energy: -0.000 local terms energy: -21.362242 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -29.257922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.257922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.257922 (E_RNA) where: Base-Base interactions energy: -8.712 where: short stacking energy: -8.712 Base-Backbone interact. energy: -0.194 local terms energy: -20.351555 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -33.822646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.822646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.822646 (E_RNA) where: Base-Base interactions energy: -9.699 where: short stacking energy: -9.699 Base-Backbone interact. energy: -0.093 local terms energy: -24.030518 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -5.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -29.945455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.945455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.945455 (E_RNA) where: Base-Base interactions energy: -10.013 where: short stacking energy: -10.013 Base-Backbone interact. energy: -0.209 local terms energy: -19.723929 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -0.925 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -28.397006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.397006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.397006 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.216 Base-Backbone interact. energy: -0.040 local terms energy: -19.852089 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -3.045 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: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -30.798805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.798805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.798805 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.003 local terms energy: -22.043400 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -3.859 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: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -27.494753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.494753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.494753 (E_RNA) where: Base-Base interactions energy: -6.602 where: short stacking energy: -6.602 Base-Backbone interact. energy: -0.001 local terms energy: -20.891370 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -41.989996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.989996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.989996 (E_RNA) where: Base-Base interactions energy: -17.531 where: short stacking energy: -17.531 Base-Backbone interact. energy: -0.002 local terms energy: -24.457043 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -4.943 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: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -35.809460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.809460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.809460 (E_RNA) where: Base-Base interactions energy: -14.345 where: short stacking energy: -14.345 Base-Backbone interact. energy: -0.016 local terms energy: -21.448999 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -37.744491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.744491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.744491 (E_RNA) where: Base-Base interactions energy: -14.805 where: short stacking energy: -14.805 Base-Backbone interact. energy: -0.032 local terms energy: -22.907944 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.506 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: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -35.520085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.520085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.520085 (E_RNA) where: Base-Base interactions energy: -13.614 where: short stacking energy: -13.614 Base-Backbone interact. energy: 0.275 local terms energy: -22.181367 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.657 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: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -35.013631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.013631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.013631 (E_RNA) where: Base-Base interactions energy: -11.559 where: short stacking energy: -11.559 Base-Backbone interact. energy: -0.017 local terms energy: -23.437229 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.225 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: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -35.593749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.593749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.593749 (E_RNA) where: Base-Base interactions energy: -13.938 where: short stacking energy: -13.938 Base-Backbone interact. energy: -0.000 local terms energy: -21.655688 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -2.527 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: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -33.148399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.148399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.148399 (E_RNA) where: Base-Base interactions energy: -12.690 where: short stacking energy: -12.690 Base-Backbone interact. energy: -0.009 local terms energy: -20.448776 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -29.915259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.915259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.915259 (E_RNA) where: Base-Base interactions energy: -8.025 where: short stacking energy: -8.025 Base-Backbone interact. energy: -0.004 local terms energy: -21.886026 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -4.678 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: 363 Temperature: 1.300000 Total energy: -33.231984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.231984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.231984 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.005 local terms energy: -23.294072 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -4.884 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: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -30.415993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.415993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.415993 (E_RNA) where: Base-Base interactions energy: -9.506 where: short stacking energy: -9.506 Base-Backbone interact. energy: -0.000 local terms energy: -20.910283 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -1.242 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -39.035629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.035629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.035629 (E_RNA) where: Base-Base interactions energy: -14.740 where: short stacking energy: -14.740 Base-Backbone interact. energy: -0.007 local terms energy: -24.289071 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -36.623593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.623593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.623593 (E_RNA) where: Base-Base interactions energy: -10.973 where: short stacking energy: -10.973 Base-Backbone interact. energy: -0.030 local terms energy: -25.620244 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -36.144238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.144238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.144238 (E_RNA) where: Base-Base interactions energy: -13.362 where: short stacking energy: -13.362 Base-Backbone interact. energy: -0.000 local terms energy: -22.782444 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -4.062 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: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -38.072580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.072580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.072580 (E_RNA) where: Base-Base interactions energy: -16.787 where: short stacking energy: -16.787 Base-Backbone interact. energy: -0.000 local terms energy: -21.285077 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -1.758 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: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -37.221484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.221484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.221484 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -8.431 Base-Backbone interact. energy: -0.000 local terms energy: -28.790487 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -34.757592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.757592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.757592 (E_RNA) where: Base-Base interactions energy: -12.976 where: short stacking energy: -12.976 Base-Backbone interact. energy: -0.035 local terms energy: -21.746312 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.407 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: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -33.818748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.818748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.818748 (E_RNA) where: Base-Base interactions energy: -12.548 where: short stacking energy: -12.548 Base-Backbone interact. energy: -0.001 local terms energy: -21.269210 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.914 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: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -35.714102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.714102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.714102 (E_RNA) where: Base-Base interactions energy: -12.838 where: short stacking energy: -10.196 Base-Backbone interact. energy: -1.017 local terms energy: -21.859013 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -1.079 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: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -30.741594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.741594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.741594 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.000 local terms energy: -22.864994 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -29.159886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.159886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.159886 (E_RNA) where: Base-Base interactions energy: -9.199 where: short stacking energy: -9.199 Base-Backbone interact. energy: -0.000 local terms energy: -19.960622 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.168 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -1.895 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -39.042411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.042411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.042411 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.000 local terms energy: -25.821516 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -39.129717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.129717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.129717 (E_RNA) where: Base-Base interactions energy: -12.140 where: short stacking energy: -12.140 Base-Backbone interact. energy: -0.006 local terms energy: -26.982889 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -42.778566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.778566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.778566 (E_RNA) where: Base-Base interactions energy: -17.937 where: short stacking energy: -17.937 Base-Backbone interact. energy: -0.000 local terms energy: -24.841291 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -1.997 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: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -40.724274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.724274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.724274 (E_RNA) where: Base-Base interactions energy: -16.818 where: short stacking energy: -16.818 Base-Backbone interact. energy: -0.001 local terms energy: -23.905630 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -4.202 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: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -37.475591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.475591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.475591 (E_RNA) where: Base-Base interactions energy: -13.332 where: short stacking energy: -13.332 Base-Backbone interact. energy: -0.000 local terms energy: -24.143300 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.739 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -30.899557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.899557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.899557 (E_RNA) where: Base-Base interactions energy: -9.300 where: short stacking energy: -9.300 Base-Backbone interact. energy: -0.002 local terms energy: -21.597053 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -32.370935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.370935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.370935 (E_RNA) where: Base-Base interactions energy: -8.330 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.000 local terms energy: -24.040901 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -3.272 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: 8, replica: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -32.515589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.515589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.515589 (E_RNA) where: Base-Base interactions energy: -14.224 where: short stacking energy: -14.224 Base-Backbone interact. energy: -0.068 local terms energy: -18.224240 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.590 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: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -32.023707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.023707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.023707 (E_RNA) where: Base-Base interactions energy: -9.805 where: short stacking energy: -9.805 Base-Backbone interact. energy: -0.000 local terms energy: -22.218730 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -28.444655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.444655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.444655 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.002 local terms energy: -18.506708 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: 0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -40.942951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.942951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.942951 (E_RNA) where: Base-Base interactions energy: -16.353 where: short stacking energy: -16.353 Base-Backbone interact. energy: -0.000 local terms energy: -24.590209 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -41.465744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.465744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.465744 (E_RNA) where: Base-Base interactions energy: -15.278 where: short stacking energy: -15.278 Base-Backbone interact. energy: -0.005 local terms energy: -26.183518 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -40.488772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.488772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.488772 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -14.598 Base-Backbone interact. energy: -0.000 local terms energy: -25.890976 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -7.657 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: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -36.605707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.605707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.605707 (E_RNA) where: Base-Base interactions energy: -12.412 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.000 local terms energy: -24.193274 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -1.359 tors. eta vs tors. theta energy: -5.820 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: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -31.694564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.694564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.694564 (E_RNA) where: Base-Base interactions energy: -13.691 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.027 local terms energy: -17.976947 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -0.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -33.419804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.419804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.419804 (E_RNA) where: Base-Base interactions energy: -10.382 where: short stacking energy: -10.382 Base-Backbone interact. energy: -0.000 local terms energy: -23.038217 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -29.080498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.080498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.080498 (E_RNA) where: Base-Base interactions energy: -5.274 where: short stacking energy: -5.274 Base-Backbone interact. energy: -0.114 local terms energy: -23.691772 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -30.029745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.029745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.029745 (E_RNA) where: Base-Base interactions energy: -9.520 where: short stacking energy: -9.520 Base-Backbone interact. energy: 0.158 local terms energy: -20.668359 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -32.460862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.460862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.460862 (E_RNA) where: Base-Base interactions energy: -11.592 where: short stacking energy: -11.592 Base-Backbone interact. energy: -0.001 local terms energy: -20.868352 where: bonds (distance) C4'-P energy: -3.904 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -30.536595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.536595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.536595 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.425 local terms energy: -21.961226 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -2.484 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: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -37.362898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.362898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.362898 (E_RNA) where: Base-Base interactions energy: -12.746 where: short stacking energy: -12.746 Base-Backbone interact. energy: -0.040 local terms energy: -24.576941 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -3.975 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: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -37.770910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.770910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.770910 (E_RNA) where: Base-Base interactions energy: -13.532 where: short stacking energy: -13.532 Base-Backbone interact. energy: -0.042 local terms energy: -24.197323 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.316 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: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -32.574627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.574627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.574627 (E_RNA) where: Base-Base interactions energy: -7.895 where: short stacking energy: -7.895 Base-Backbone interact. energy: -0.073 local terms energy: -24.606761 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -36.758029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.758029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.758029 (E_RNA) where: Base-Base interactions energy: -13.599 where: short stacking energy: -13.599 Base-Backbone interact. energy: -0.027 local terms energy: -23.132320 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -3.993 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: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -36.413091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.413091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.413091 (E_RNA) where: Base-Base interactions energy: -15.539 where: short stacking energy: -15.977 Base-Backbone interact. energy: -0.000 local terms energy: -20.874382 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.724 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -31.617711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.617711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.617711 (E_RNA) where: Base-Base interactions energy: -7.264 where: short stacking energy: -7.264 Base-Backbone interact. energy: -0.031 local terms energy: -24.322447 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -5.011 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: 7, replica: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -34.718092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.718092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.718092 (E_RNA) where: Base-Base interactions energy: -12.899 where: short stacking energy: -12.899 Base-Backbone interact. energy: -0.075 local terms energy: -21.744053 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -2.907 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -33.059322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.059322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.059322 (E_RNA) where: Base-Base interactions energy: -13.278 where: short stacking energy: -13.278 Base-Backbone interact. energy: -0.048 local terms energy: -19.732882 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: 0.779 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -29.078725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078725 (E_RNA) where: Base-Base interactions energy: -11.494 where: short stacking energy: -11.494 Base-Backbone interact. energy: -0.045 local terms energy: -17.539094 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -0.614 tors. eta vs tors. theta energy: -0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -31.524579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.524579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.524579 (E_RNA) where: Base-Base interactions energy: -15.469 where: short stacking energy: -15.469 Base-Backbone interact. energy: -0.068 local terms energy: -15.987673 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -0.489 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -41.758434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.758434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.758434 (E_RNA) where: Base-Base interactions energy: -16.462 where: short stacking energy: -16.462 Base-Backbone interact. energy: -0.000 local terms energy: -25.296571 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -41.978365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.978365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.978365 (E_RNA) where: Base-Base interactions energy: -16.264 where: short stacking energy: -16.264 Base-Backbone interact. energy: -0.058 local terms energy: -25.656126 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -36.475391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.475391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.475391 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.004 local terms energy: -22.010970 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -31.795570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.795570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.795570 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -9.812 Base-Backbone interact. energy: -0.004 local terms energy: -20.527009 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -0.016 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -36.973540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.973540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.973540 (E_RNA) where: Base-Base interactions energy: -13.626 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.012 local terms energy: -23.336292 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -37.704324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.704324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.704324 (E_RNA) where: Base-Base interactions energy: -12.523 where: short stacking energy: -12.523 Base-Backbone interact. energy: -0.000 local terms energy: -25.181224 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.254 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: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -36.617873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.617873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.617873 (E_RNA) where: Base-Base interactions energy: -9.877 where: short stacking energy: -9.877 Base-Backbone interact. energy: -0.000 local terms energy: -26.741305 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -30.912704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.912704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.912704 (E_RNA) where: Base-Base interactions energy: -6.973 where: short stacking energy: -6.973 Base-Backbone interact. energy: -0.007 local terms energy: -23.932237 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -29.668649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.668649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.668649 (E_RNA) where: Base-Base interactions energy: -6.902 where: short stacking energy: -6.902 Base-Backbone interact. energy: -0.000 local terms energy: -22.766193 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -25.654237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.654237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.654237 (E_RNA) where: Base-Base interactions energy: -5.747 where: short stacking energy: -5.747 Base-Backbone interact. energy: -0.082 local terms energy: -19.825104 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -43.924785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.924785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.924785 (E_RNA) where: Base-Base interactions energy: -16.859 where: short stacking energy: -16.859 Base-Backbone interact. energy: -0.001 local terms energy: -27.065403 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -35.807440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.807440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.807440 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.015 local terms energy: -24.026579 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -38.133783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.133783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.133783 (E_RNA) where: Base-Base interactions energy: -12.599 where: short stacking energy: -12.599 Base-Backbone interact. energy: -0.095 local terms energy: -25.440555 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -32.485254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.485254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.485254 (E_RNA) where: Base-Base interactions energy: -9.660 where: short stacking energy: -9.660 Base-Backbone interact. energy: -0.056 local terms energy: -22.769328 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -33.574283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.574283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.574283 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.000 local terms energy: -22.897434 where: bonds (distance) C4'-P energy: -0.086 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -30.229507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.229507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.229507 (E_RNA) where: Base-Base interactions energy: -9.894 where: short stacking energy: -9.894 Base-Backbone interact. energy: -0.196 local terms energy: -20.139092 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: 1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -28.619750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.619750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.619750 (E_RNA) where: Base-Base interactions energy: -8.049 where: short stacking energy: -6.985 Base-Backbone interact. energy: -0.001 local terms energy: -20.570328 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.187 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: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -32.012802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.012802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.012802 (E_RNA) where: Base-Base interactions energy: -12.061 where: short stacking energy: -12.061 Base-Backbone interact. energy: -0.086 local terms energy: -19.865765 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -33.728265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.728265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.728265 (E_RNA) where: Base-Base interactions energy: -13.623 where: short stacking energy: -13.623 Base-Backbone interact. energy: -0.052 local terms energy: -20.053235 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: 0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -30.059452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059452 (E_RNA) where: Base-Base interactions energy: -9.657 where: short stacking energy: -9.657 Base-Backbone interact. energy: -0.000 local terms energy: -20.402793 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -0.408 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: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -36.485150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.485150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.485150 (E_RNA) where: Base-Base interactions energy: -15.624 where: short stacking energy: -15.624 Base-Backbone interact. energy: -0.032 local terms energy: -20.828885 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: 0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -39.753259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.753259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.753259 (E_RNA) where: Base-Base interactions energy: -12.798 where: short stacking energy: -12.898 Base-Backbone interact. energy: -0.031 local terms energy: -26.924442 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -3.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -35.088741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.088741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.088741 (E_RNA) where: Base-Base interactions energy: -13.861 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.102 local terms energy: -21.125593 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -33.819398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.819398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.819398 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.000 local terms energy: -21.887715 where: bonds (distance) C4'-P energy: -3.352 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -3.663 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: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -33.969167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.969167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.969167 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.000 local terms energy: -23.604537 where: bonds (distance) C4'-P energy: -3.212 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -5.043 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: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -31.165043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.165043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.165043 (E_RNA) where: Base-Base interactions energy: -11.626 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.000 local terms energy: -19.539346 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -2.895 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: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -36.455337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.455337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.455337 (E_RNA) where: Base-Base interactions energy: -10.305 where: short stacking energy: -10.305 Base-Backbone interact. energy: -0.002 local terms energy: -26.147993 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.450 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: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -29.077498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.077498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.077498 (E_RNA) where: Base-Base interactions energy: -7.534 where: short stacking energy: -7.534 Base-Backbone interact. energy: -0.941 local terms energy: -20.602569 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -3.388 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: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -36.256152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.256152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.256152 (E_RNA) where: Base-Base interactions energy: -11.099 where: short stacking energy: -11.099 Base-Backbone interact. energy: -0.001 local terms energy: -25.155862 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -30.276372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.276372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.276372 (E_RNA) where: Base-Base interactions energy: -9.168 where: short stacking energy: -9.168 Base-Backbone interact. energy: -0.148 local terms energy: -20.960463 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -2.944 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: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -39.836709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.836709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.836709 (E_RNA) where: Base-Base interactions energy: -13.291 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.000 local terms energy: -26.545544 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -41.721192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.721192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.721192 (E_RNA) where: Base-Base interactions energy: -17.033 where: short stacking energy: -17.033 Base-Backbone interact. energy: -0.025 local terms energy: -24.662585 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.943 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: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -35.365366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.365366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.365366 (E_RNA) where: Base-Base interactions energy: -13.642 where: short stacking energy: -13.642 Base-Backbone interact. energy: -0.018 local terms energy: -21.705903 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -37.668922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.668922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.668922 (E_RNA) where: Base-Base interactions energy: -17.399 where: short stacking energy: -17.399 Base-Backbone interact. energy: -0.081 local terms energy: -20.189023 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.091 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: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -34.381597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.381597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.381597 (E_RNA) where: Base-Base interactions energy: -8.985 where: short stacking energy: -8.985 Base-Backbone interact. energy: -0.000 local terms energy: -25.396362 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -34.637110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.637110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.637110 (E_RNA) where: Base-Base interactions energy: -13.403 where: short stacking energy: -13.403 Base-Backbone interact. energy: -0.024 local terms energy: -21.210263 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -31.552369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.552369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.552369 (E_RNA) where: Base-Base interactions energy: -8.416 where: short stacking energy: -8.416 Base-Backbone interact. energy: -0.027 local terms energy: -23.108956 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.070 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: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -32.083307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.083307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.083307 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.050 local terms energy: -22.281251 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -31.234288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.234288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.234288 (E_RNA) where: Base-Base interactions energy: -10.387 where: short stacking energy: -10.387 Base-Backbone interact. energy: -0.005 local terms energy: -20.843078 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -0.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -32.886721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.886721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.886721 (E_RNA) where: Base-Base interactions energy: -9.621 where: short stacking energy: -9.621 Base-Backbone interact. energy: -0.004 local terms energy: -23.261900 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -40.183067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.183067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.183067 (E_RNA) where: Base-Base interactions energy: -13.448 where: short stacking energy: -13.448 Base-Backbone interact. energy: -0.099 local terms energy: -26.636201 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -43.194429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.194429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.194429 (E_RNA) where: Base-Base interactions energy: -17.587 where: short stacking energy: -17.587 Base-Backbone interact. energy: -0.000 local terms energy: -25.607438 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -3.718 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: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -33.786805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.786805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.786805 (E_RNA) where: Base-Base interactions energy: -8.593 where: short stacking energy: -8.593 Base-Backbone interact. energy: -0.015 local terms energy: -25.178537 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -2.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -35.301382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.301382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.301382 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.000 local terms energy: -23.340227 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -36.344399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.344399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.344399 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -12.878 Base-Backbone interact. energy: -0.056 local terms energy: -23.410146 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -34.208915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.208915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.208915 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.000 local terms energy: -24.156125 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.548 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: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -37.229066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.229066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.229066 (E_RNA) where: Base-Base interactions energy: -14.456 where: short stacking energy: -14.456 Base-Backbone interact. energy: -0.006 local terms energy: -22.766870 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -27.794821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.794821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.794821 (E_RNA) where: Base-Base interactions energy: -11.658 where: short stacking energy: -11.658 Base-Backbone interact. energy: -0.037 local terms energy: -16.099827 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -31.807073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.807073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.807073 (E_RNA) where: Base-Base interactions energy: -12.627 where: short stacking energy: -12.646 Base-Backbone interact. energy: -0.090 local terms energy: -19.089529 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: 1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -32.238346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.238346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.238346 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.001 local terms energy: -22.038541 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -1.476 tors. eta vs tors. theta energy: -3.863 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: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -41.217669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.217669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.217669 (E_RNA) where: Base-Base interactions energy: -17.031 where: short stacking energy: -17.031 Base-Backbone interact. energy: -0.359 local terms energy: -23.827219 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -38.789569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.789569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.789569 (E_RNA) where: Base-Base interactions energy: -14.092 where: short stacking energy: -14.092 Base-Backbone interact. energy: -0.054 local terms energy: -24.643667 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -36.781931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.781931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.781931 (E_RNA) where: Base-Base interactions energy: -13.021 where: short stacking energy: -13.021 Base-Backbone interact. energy: -0.031 local terms energy: -23.729730 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -1.327 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: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -31.102587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.102587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.102587 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.091 local terms energy: -18.914385 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -1.630 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: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -37.235248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.235248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.235248 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.003 local terms energy: -27.668506 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -4.800 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: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -30.222934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.222934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.222934 (E_RNA) where: Base-Base interactions energy: -12.684 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.112 local terms energy: -17.427170 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -33.940298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.940298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.940298 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.017 local terms energy: -19.327640 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -1.949 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -32.170144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170144 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.050 local terms energy: -20.879701 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -2.553 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: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -32.115100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.115100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.115100 (E_RNA) where: Base-Base interactions energy: -9.076 where: short stacking energy: -9.076 Base-Backbone interact. energy: -0.000 local terms energy: -23.038974 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.795 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -27.766786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.766786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.766786 (E_RNA) where: Base-Base interactions energy: -9.665 where: short stacking energy: -9.665 Base-Backbone interact. energy: -0.000 local terms energy: -18.101534 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -0.438 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: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -40.506153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.506153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.506153 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.000 local terms energy: -24.365126 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -4.953 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: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -40.042048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.042048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.042048 (E_RNA) where: Base-Base interactions energy: -16.523 where: short stacking energy: -16.523 Base-Backbone interact. energy: -0.001 local terms energy: -23.518009 where: bonds (distance) C4'-P energy: -2.714 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -4.927 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: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -38.435072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.435072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.435072 (E_RNA) where: Base-Base interactions energy: -13.500 where: short stacking energy: -13.500 Base-Backbone interact. energy: -0.001 local terms energy: -24.934283 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -38.223040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.223040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.223040 (E_RNA) where: Base-Base interactions energy: -17.903 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.020 local terms energy: -20.299864 where: bonds (distance) C4'-P energy: -1.477 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -35.359889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.359889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.359889 (E_RNA) where: Base-Base interactions energy: -12.431 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.097 local terms energy: -22.832628 where: bonds (distance) C4'-P energy: -4.379 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -30.881260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.881260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.881260 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.024 local terms energy: -20.059681 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -2.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -34.222647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.222647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.222647 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.009 local terms energy: -22.734100 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -30.948620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.948620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.948620 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.097 local terms energy: -20.217728 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -25.735225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.735225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.735225 (E_RNA) where: Base-Base interactions energy: -4.140 where: short stacking energy: -4.140 Base-Backbone interact. energy: -0.778 local terms energy: -20.817165 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -26.036674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.036674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.036674 (E_RNA) where: Base-Base interactions energy: -5.060 where: short stacking energy: -5.060 Base-Backbone interact. energy: -0.002 local terms energy: -20.974754 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -38.707175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.707175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.707175 (E_RNA) where: Base-Base interactions energy: -14.142 where: short stacking energy: -14.142 Base-Backbone interact. energy: -0.000 local terms energy: -24.565461 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -4.811 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: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -40.726853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.726853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.726853 (E_RNA) where: Base-Base interactions energy: -16.320 where: short stacking energy: -16.320 Base-Backbone interact. energy: -0.000 local terms energy: -24.407339 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -5.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -39.194784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.194784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.194784 (E_RNA) where: Base-Base interactions energy: -13.028 where: short stacking energy: -13.028 Base-Backbone interact. energy: -0.000 local terms energy: -26.166730 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -40.610477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.610477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.610477 (E_RNA) where: Base-Base interactions energy: -13.216 where: short stacking energy: -13.216 Base-Backbone interact. energy: -0.004 local terms energy: -27.390987 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -32.901715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.901715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.901715 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.019 local terms energy: -22.940610 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -3.082 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: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -35.062281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.062281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.062281 (E_RNA) where: Base-Base interactions energy: -12.322 where: short stacking energy: -12.322 Base-Backbone interact. energy: -0.092 local terms energy: -22.649201 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -35.952816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.952816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.952816 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: -0.000 local terms energy: -22.626166 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -2.141 tors. eta vs tors. theta energy: -5.083 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: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -29.438361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.438361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.438361 (E_RNA) where: Base-Base interactions energy: -10.754 where: short stacking energy: -10.754 Base-Backbone interact. energy: -0.000 local terms energy: -18.684001 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -2.401 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -31.191302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.191302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.191302 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.058 local terms energy: -21.948412 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -30.913864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.913864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.913864 (E_RNA) where: Base-Base interactions energy: -5.676 where: short stacking energy: -5.676 Base-Backbone interact. energy: 0.084 local terms energy: -25.321591 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -35.977464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.977464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.977464 (E_RNA) where: Base-Base interactions energy: -11.628 where: short stacking energy: -11.628 Base-Backbone interact. energy: -0.028 local terms energy: -24.321913 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -5.079 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: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -34.467915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.467915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.467915 (E_RNA) where: Base-Base interactions energy: -10.392 where: short stacking energy: -10.392 Base-Backbone interact. energy: -0.077 local terms energy: -23.999271 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -37.686983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.686983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.686983 (E_RNA) where: Base-Base interactions energy: -12.259 where: short stacking energy: -12.259 Base-Backbone interact. energy: -0.002 local terms energy: -25.425489 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -32.663873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.663873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.663873 (E_RNA) where: Base-Base interactions energy: -10.404 where: short stacking energy: -10.404 Base-Backbone interact. energy: -0.002 local terms energy: -22.257920 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -2.701 flat angles P-C4'-P energy: -4.066 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: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -33.713321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.713321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.713321 (E_RNA) where: Base-Base interactions energy: -10.091 where: short stacking energy: -10.091 Base-Backbone interact. energy: 0.345 local terms energy: -23.967122 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.486 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: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -35.582755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.582755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.582755 (E_RNA) where: Base-Base interactions energy: -9.406 where: short stacking energy: -9.406 Base-Backbone interact. energy: -0.012 local terms energy: -26.165256 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -4.795 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: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -35.222693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.222693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.222693 (E_RNA) where: Base-Base interactions energy: -10.683 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.051 local terms energy: -24.488130 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -30.178497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.178497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.178497 (E_RNA) where: Base-Base interactions energy: -9.744 where: short stacking energy: -9.744 Base-Backbone interact. energy: -0.100 local terms energy: -20.335098 where: bonds (distance) C4'-P energy: -3.208 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -1.787 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -26.593441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.593441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.593441 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.033 local terms energy: -13.909545 where: bonds (distance) C4'-P energy: -3.460 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -2.017 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: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -28.105497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.105497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.105497 (E_RNA) where: Base-Base interactions energy: -9.087 where: short stacking energy: -9.087 Base-Backbone interact. energy: -0.022 local terms energy: -18.996771 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -3.478 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.332 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: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -42.836371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.836371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.836371 (E_RNA) where: Base-Base interactions energy: -16.908 where: short stacking energy: -16.908 Base-Backbone interact. energy: -0.000 local terms energy: -25.928096 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -1.076 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -40.131541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.131541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.131541 (E_RNA) where: Base-Base interactions energy: -16.632 where: short stacking energy: -16.632 Base-Backbone interact. energy: -0.000 local terms energy: -23.499108 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.797 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -1.996 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: 3, replica: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -35.172551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.172551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.172551 (E_RNA) where: Base-Base interactions energy: -10.278 where: short stacking energy: -10.278 Base-Backbone interact. energy: -0.050 local terms energy: -24.844558 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -34.409982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.409982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.409982 (E_RNA) where: Base-Base interactions energy: -11.729 where: short stacking energy: -11.729 Base-Backbone interact. energy: -0.000 local terms energy: -22.680886 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.546 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: 5, replica: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -37.049411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.049411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.049411 (E_RNA) where: Base-Base interactions energy: -14.226 where: short stacking energy: -14.226 Base-Backbone interact. energy: -0.000 local terms energy: -22.823301 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -2.690 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: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -31.968026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.968026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.968026 (E_RNA) where: Base-Base interactions energy: -10.976 where: short stacking energy: -10.976 Base-Backbone interact. energy: -0.000 local terms energy: -20.991529 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.268 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: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -31.525646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.525646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.525646 (E_RNA) where: Base-Base interactions energy: -7.873 where: short stacking energy: -7.873 Base-Backbone interact. energy: -0.002 local terms energy: -23.650735 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -37.600768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.600768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.600768 (E_RNA) where: Base-Base interactions energy: -12.687 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.000 local terms energy: -24.914050 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -31.260542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.260542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.260542 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.057 local terms energy: -21.230602 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.662 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: 0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -27.865556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.865556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.865556 (E_RNA) where: Base-Base interactions energy: -6.282 where: short stacking energy: -6.282 Base-Backbone interact. energy: -0.044 local terms energy: -21.540353 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -41.619229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.619229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.619229 (E_RNA) where: Base-Base interactions energy: -13.811 where: short stacking energy: -13.811 Base-Backbone interact. energy: -0.000 local terms energy: -27.807846 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -44.241858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.241858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.241858 (E_RNA) where: Base-Base interactions energy: -17.529 where: short stacking energy: -17.529 Base-Backbone interact. energy: -0.000 local terms energy: -26.713245 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -36.449169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449169 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.022 local terms energy: -23.218606 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -36.950485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.950485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.950485 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.004 local terms energy: -24.051893 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -4.388 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: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -34.868764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.868764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.868764 (E_RNA) where: Base-Base interactions energy: -13.469 where: short stacking energy: -13.469 Base-Backbone interact. energy: -0.001 local terms energy: -21.398076 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -34.070970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.070970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.070970 (E_RNA) where: Base-Base interactions energy: -9.220 where: short stacking energy: -9.234 Base-Backbone interact. energy: -1.669 local terms energy: -23.182062 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -33.529762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.529762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.529762 (E_RNA) where: Base-Base interactions energy: -9.950 where: short stacking energy: -9.950 Base-Backbone interact. energy: -0.000 local terms energy: -23.579731 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.061 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: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -30.097760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.097760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.097760 (E_RNA) where: Base-Base interactions energy: -9.506 where: short stacking energy: -9.506 Base-Backbone interact. energy: -0.001 local terms energy: -20.591018 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.508 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: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -33.448044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.448044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.448044 (E_RNA) where: Base-Base interactions energy: -7.647 where: short stacking energy: -7.671 Base-Backbone interact. energy: -2.081 local terms energy: -23.720483 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -33.848082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.848082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.848082 (E_RNA) where: Base-Base interactions energy: -9.305 where: short stacking energy: -9.305 Base-Backbone interact. energy: -0.001 local terms energy: -24.542152 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.676 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: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -39.990080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.990080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.990080 (E_RNA) where: Base-Base interactions energy: -15.352 where: short stacking energy: -15.352 Base-Backbone interact. energy: -0.007 local terms energy: -24.631153 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -39.726777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.726777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.726777 (E_RNA) where: Base-Base interactions energy: -14.111 where: short stacking energy: -14.111 Base-Backbone interact. energy: -0.132 local terms energy: -25.483416 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -37.403049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.403049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.403049 (E_RNA) where: Base-Base interactions energy: -14.957 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.000 local terms energy: -22.446174 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -41.127849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.127849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.127849 (E_RNA) where: Base-Base interactions energy: -13.947 where: short stacking energy: -13.947 Base-Backbone interact. energy: -0.000 local terms energy: -27.180564 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -30.423621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.423621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.423621 (E_RNA) where: Base-Base interactions energy: -9.469 where: short stacking energy: -9.469 Base-Backbone interact. energy: -0.083 local terms energy: -20.872020 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: 0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -32.622149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.622149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.622149 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.589 Base-Backbone interact. energy: -0.020 local terms energy: -23.013401 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -27.489821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.489821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.489821 (E_RNA) where: Base-Base interactions energy: -9.593 where: short stacking energy: -9.593 Base-Backbone interact. energy: -0.106 local terms energy: -17.790702 where: bonds (distance) C4'-P energy: -3.203 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -33.593907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.593907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.593907 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -12.619 Base-Backbone interact. energy: -0.000 local terms energy: -21.775048 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -31.406914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.406914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.406914 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.001 local terms energy: -23.090236 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -32.935174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.935174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.935174 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.000 local terms energy: -21.856395 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.594 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: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -38.814579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.814579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.814579 (E_RNA) where: Base-Base interactions energy: -17.159 where: short stacking energy: -17.159 Base-Backbone interact. energy: 1.206 local terms energy: -22.861646 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -2.839 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: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -40.565962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.565962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.565962 (E_RNA) where: Base-Base interactions energy: -15.792 where: short stacking energy: -15.792 Base-Backbone interact. energy: -0.000 local terms energy: -24.773871 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -36.983209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.983209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.983209 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.100 local terms energy: -25.158284 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -4.903 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: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -36.092529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.092529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.092529 (E_RNA) where: Base-Base interactions energy: -12.182 where: short stacking energy: -12.182 Base-Backbone interact. energy: -0.028 local terms energy: -23.882865 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -3.603 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: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -32.956978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.956978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.956978 (E_RNA) where: Base-Base interactions energy: -13.102 where: short stacking energy: -13.102 Base-Backbone interact. energy: -0.148 local terms energy: -19.707631 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -3.266 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: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -31.378572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.378572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.378572 (E_RNA) where: Base-Base interactions energy: -12.132 where: short stacking energy: -12.132 Base-Backbone interact. energy: -0.057 local terms energy: -19.189621 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -31.746639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.746639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.746639 (E_RNA) where: Base-Base interactions energy: -8.797 where: short stacking energy: -8.797 Base-Backbone interact. energy: -0.001 local terms energy: -22.948206 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -28.162013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.162013 (E_RNA) where: Base-Base interactions energy: -8.538 where: short stacking energy: -8.538 Base-Backbone interact. energy: -0.008 local terms energy: -19.615841 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -4.044 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: 9, replica: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -33.153654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.153654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.153654 (E_RNA) where: Base-Base interactions energy: -9.847 where: short stacking energy: -9.847 Base-Backbone interact. energy: -0.008 local terms energy: -23.298487 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -29.682732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.682732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.682732 (E_RNA) where: Base-Base interactions energy: -7.652 where: short stacking energy: -7.652 Base-Backbone interact. energy: -0.005 local terms energy: -22.025232 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -37.923629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.923629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.923629 (E_RNA) where: Base-Base interactions energy: -13.227 where: short stacking energy: -13.227 Base-Backbone interact. energy: -0.020 local terms energy: -24.677041 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -41.487050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.487050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.487050 (E_RNA) where: Base-Base interactions energy: -12.820 where: short stacking energy: -12.820 Base-Backbone interact. energy: -0.000 local terms energy: -28.667176 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -34.065646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.065646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.065646 (E_RNA) where: Base-Base interactions energy: -13.941 where: short stacking energy: -13.941 Base-Backbone interact. energy: -0.072 local terms energy: -20.053276 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: 0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -31.062313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.062313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.062313 (E_RNA) where: Base-Base interactions energy: -6.664 where: short stacking energy: -6.664 Base-Backbone interact. energy: -0.144 local terms energy: -24.254436 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -34.234492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.234492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.234492 (E_RNA) where: Base-Base interactions energy: -9.252 where: short stacking energy: -9.252 Base-Backbone interact. energy: -0.098 local terms energy: -24.884456 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -36.986488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.986488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.986488 (E_RNA) where: Base-Base interactions energy: -10.895 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.000 local terms energy: -26.091594 where: bonds (distance) C4'-P energy: -2.621 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -6.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -29.900260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.900260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.900260 (E_RNA) where: Base-Base interactions energy: -9.127 where: short stacking energy: -9.127 Base-Backbone interact. energy: -0.082 local terms energy: -20.691459 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -4.960 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: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -29.940787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.940787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.940787 (E_RNA) where: Base-Base interactions energy: -7.099 where: short stacking energy: -7.099 Base-Backbone interact. energy: -0.002 local terms energy: -22.839394 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -33.683464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.683464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.683464 (E_RNA) where: Base-Base interactions energy: -11.773 where: short stacking energy: -11.773 Base-Backbone interact. energy: -0.000 local terms energy: -21.909868 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -28.911362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.911362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.911362 (E_RNA) where: Base-Base interactions energy: -5.548 where: short stacking energy: -5.548 Base-Backbone interact. energy: -0.025 local terms energy: -23.338745 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -43.102094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.102094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.102094 (E_RNA) where: Base-Base interactions energy: -16.820 where: short stacking energy: -16.820 Base-Backbone interact. energy: -0.014 local terms energy: -26.267334 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -40.086889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.086889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.086889 (E_RNA) where: Base-Base interactions energy: -17.108 where: short stacking energy: -17.108 Base-Backbone interact. energy: -0.000 local terms energy: -22.979079 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -38.159635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.159635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.159635 (E_RNA) where: Base-Base interactions energy: -12.938 where: short stacking energy: -12.938 Base-Backbone interact. energy: -0.000 local terms energy: -25.222088 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -34.973817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.973817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.973817 (E_RNA) where: Base-Base interactions energy: -13.314 where: short stacking energy: -13.314 Base-Backbone interact. energy: -0.041 local terms energy: -21.619238 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -36.880097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.880097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.880097 (E_RNA) where: Base-Base interactions energy: -12.041 where: short stacking energy: -12.041 Base-Backbone interact. energy: -0.000 local terms energy: -24.839197 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -30.587751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.587751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.587751 (E_RNA) where: Base-Base interactions energy: -12.298 where: short stacking energy: -12.298 Base-Backbone interact. energy: -0.000 local terms energy: -18.289600 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -1.756 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -29.484670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.484670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.484670 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.000 local terms energy: -19.174861 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -2.952 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: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -32.776022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.776022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.776022 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.000 local terms energy: -19.709946 where: bonds (distance) C4'-P energy: -2.798 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -29.947563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.947563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.947563 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.000 local terms energy: -18.737583 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -1.882 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -4.268 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: 10, replica: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -27.331131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.331131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.331131 (E_RNA) where: Base-Base interactions energy: -6.167 where: short stacking energy: -6.167 Base-Backbone interact. energy: -0.208 local terms energy: -20.955769 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -35.517049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.517049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.517049 (E_RNA) where: Base-Base interactions energy: -10.696 where: short stacking energy: -10.696 Base-Backbone interact. energy: -0.011 local terms energy: -24.809843 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -39.068037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.068037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.068037 (E_RNA) where: Base-Base interactions energy: -15.981 where: short stacking energy: -15.981 Base-Backbone interact. energy: -0.003 local terms energy: -23.084177 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -31.590311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.590311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.590311 (E_RNA) where: Base-Base interactions energy: -9.139 where: short stacking energy: -9.139 Base-Backbone interact. energy: -0.075 local terms energy: -22.376464 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -35.983196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.983196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.983196 (E_RNA) where: Base-Base interactions energy: -13.964 where: short stacking energy: -13.964 Base-Backbone interact. energy: -0.073 local terms energy: -21.947097 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -3.829 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: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -35.156550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.156550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.156550 (E_RNA) where: Base-Base interactions energy: -12.611 where: short stacking energy: -12.611 Base-Backbone interact. energy: -0.019 local terms energy: -22.526356 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -31.467227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.467227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.467227 (E_RNA) where: Base-Base interactions energy: -9.750 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.027 local terms energy: -21.689916 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -2.259 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: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -32.144995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.144995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.144995 (E_RNA) where: Base-Base interactions energy: -11.869 where: short stacking energy: -11.869 Base-Backbone interact. energy: -0.191 local terms energy: -20.085497 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -4.553 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: 8, replica: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -32.477860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.477860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.477860 (E_RNA) where: Base-Base interactions energy: -7.255 where: short stacking energy: -7.255 Base-Backbone interact. energy: -0.010 local terms energy: -25.212299 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -29.713341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.713341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.713341 (E_RNA) where: Base-Base interactions energy: -11.373 where: short stacking energy: -11.373 Base-Backbone interact. energy: -0.000 local terms energy: -18.340676 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -2.268 flat angles P-C4'-P energy: -1.662 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -28.177688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.177688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.177688 (E_RNA) where: Base-Base interactions energy: -11.381 where: short stacking energy: -11.381 Base-Backbone interact. energy: -0.000 local terms energy: -16.796900 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: 2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -44.701703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.701703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.701703 (E_RNA) where: Base-Base interactions energy: -17.941 where: short stacking energy: -17.941 Base-Backbone interact. energy: -0.000 local terms energy: -26.760533 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -39.407223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.407223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.407223 (E_RNA) where: Base-Base interactions energy: -14.074 where: short stacking energy: -14.074 Base-Backbone interact. energy: -0.000 local terms energy: -25.332799 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -33.070308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.070308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.070308 (E_RNA) where: Base-Base interactions energy: -12.145 where: short stacking energy: -12.145 Base-Backbone interact. energy: -0.944 local terms energy: -19.980806 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -36.533780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.533780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.533780 (E_RNA) where: Base-Base interactions energy: -15.696 where: short stacking energy: -15.696 Base-Backbone interact. energy: -0.036 local terms energy: -20.801709 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.690 flat angles P-C4'-P energy: -3.566 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: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -30.871041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.871041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.871041 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -9.611 Base-Backbone interact. energy: -0.072 local terms energy: -21.188602 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.909 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: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -33.342792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.342792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.342792 (E_RNA) where: Base-Base interactions energy: -13.635 where: short stacking energy: -13.635 Base-Backbone interact. energy: -0.100 local terms energy: -19.607290 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.073 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: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -30.158987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.158987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.158987 (E_RNA) where: Base-Base interactions energy: -6.899 where: short stacking energy: -6.899 Base-Backbone interact. energy: -0.000 local terms energy: -23.259770 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -30.799892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799892 (E_RNA) where: Base-Base interactions energy: -8.405 where: short stacking energy: -8.405 Base-Backbone interact. energy: -0.000 local terms energy: -22.394675 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -3.934 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: 9, replica: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -29.413162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.413162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.413162 (E_RNA) where: Base-Base interactions energy: -9.224 where: short stacking energy: -9.224 Base-Backbone interact. energy: -0.082 local terms energy: -20.106466 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -28.987636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.987636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.987636 (E_RNA) where: Base-Base interactions energy: -8.303 where: short stacking energy: -8.303 Base-Backbone interact. energy: -0.000 local terms energy: -20.684563 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.183 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: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -39.800290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.800290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.800290 (E_RNA) where: Base-Base interactions energy: -15.741 where: short stacking energy: -15.741 Base-Backbone interact. energy: -0.064 local terms energy: -23.995775 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -42.362085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.362085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.362085 (E_RNA) where: Base-Base interactions energy: -19.305 where: short stacking energy: -19.305 Base-Backbone interact. energy: -0.011 local terms energy: -23.046673 where: bonds (distance) C4'-P energy: -3.519 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -1.429 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: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -33.763210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.763210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.763210 (E_RNA) where: Base-Base interactions energy: -9.847 where: short stacking energy: -9.847 Base-Backbone interact. energy: -0.000 local terms energy: -23.916529 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -4.012 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: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -36.567503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567503 (E_RNA) where: Base-Base interactions energy: -14.962 where: short stacking energy: -14.962 Base-Backbone interact. energy: -0.028 local terms energy: -21.577542 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -30.649303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.649303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.649303 (E_RNA) where: Base-Base interactions energy: -8.612 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.000 local terms energy: -22.037134 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.080 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -33.361433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.361433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.361433 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.100 local terms energy: -23.374271 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -32.366723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.366723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.366723 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -9.254 Base-Backbone interact. energy: -0.000 local terms energy: -23.112202 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -4.790 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: 8, replica: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -31.676512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676512 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.100 local terms energy: -23.943835 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.162 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -4.877 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: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -29.549914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.549914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.549914 (E_RNA) where: Base-Base interactions energy: -13.509 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.006 local terms energy: -16.035408 where: bonds (distance) C4'-P energy: -2.454 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -2.948 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -26.050263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.050263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.050263 (E_RNA) where: Base-Base interactions energy: -6.716 where: short stacking energy: -6.716 Base-Backbone interact. energy: -0.000 local terms energy: -19.333786 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -1.658 tors. eta vs tors. theta energy: 0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -36.923223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.923223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.923223 (E_RNA) where: Base-Base interactions energy: -13.412 where: short stacking energy: -13.412 Base-Backbone interact. energy: 0.379 local terms energy: -23.890737 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -4.107 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: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -36.421265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.421265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.421265 (E_RNA) where: Base-Base interactions energy: -15.510 where: short stacking energy: -15.510 Base-Backbone interact. energy: -0.000 local terms energy: -20.910846 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.059 flat angles P-C4'-P energy: -4.397 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: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -38.456494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.456494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.456494 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.000 local terms energy: -26.359855 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.730 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: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -41.209498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.209498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.209498 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.011 local terms energy: -26.827435 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -5.307 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: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -36.580766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.580766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.580766 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.080 local terms energy: -24.666769 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -2.378 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: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -30.058056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.058056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.058056 (E_RNA) where: Base-Base interactions energy: -10.623 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.019 local terms energy: -19.416837 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -35.048969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.048969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.048969 (E_RNA) where: Base-Base interactions energy: -13.625 where: short stacking energy: -13.625 Base-Backbone interact. energy: -0.000 local terms energy: -21.423919 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -32.366379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.366379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.366379 (E_RNA) where: Base-Base interactions energy: -13.109 where: short stacking energy: -13.109 Base-Backbone interact. energy: -0.013 local terms energy: -19.245295 where: bonds (distance) C4'-P energy: -2.144 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.603 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: 9, replica: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -30.317163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.317163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.317163 (E_RNA) where: Base-Base interactions energy: -6.620 where: short stacking energy: -6.620 Base-Backbone interact. energy: -0.001 local terms energy: -23.695669 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -3.495 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: 10, replica: 5 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -29.292674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.292674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.292674 (E_RNA) where: Base-Base interactions energy: -6.456 where: short stacking energy: -6.456 Base-Backbone interact. energy: -0.036 local terms energy: -22.800866 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -41.394830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.394830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.394830 (E_RNA) where: Base-Base interactions energy: -14.332 where: short stacking energy: -14.332 Base-Backbone interact. energy: -0.001 local terms energy: -27.061508 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -3.694 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: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -38.799256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.799256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.799256 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.000 local terms energy: -24.729415 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.688 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: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -39.796925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.796925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.796925 (E_RNA) where: Base-Base interactions energy: -12.934 where: short stacking energy: -12.934 Base-Backbone interact. energy: -0.000 local terms energy: -26.863147 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -4.441 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: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -36.002008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.002008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.002008 (E_RNA) where: Base-Base interactions energy: -13.651 where: short stacking energy: -13.651 Base-Backbone interact. energy: -0.014 local terms energy: -22.336930 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.289 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: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -35.556584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.556584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.556584 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -11.952 Base-Backbone interact. energy: -0.009 local terms energy: -23.595395 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -5.386 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: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -36.629453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.629453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.629453 (E_RNA) where: Base-Base interactions energy: -14.119 where: short stacking energy: -14.119 Base-Backbone interact. energy: -0.000 local terms energy: -22.510718 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.218 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: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -32.727427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.727427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.727427 (E_RNA) where: Base-Base interactions energy: -13.087 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.019 local terms energy: -19.621491 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -3.797 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -30.417042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.417042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.417042 (E_RNA) where: Base-Base interactions energy: -8.432 where: short stacking energy: -8.432 Base-Backbone interact. energy: -0.000 local terms energy: -21.984856 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -29.394581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.394581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.394581 (E_RNA) where: Base-Base interactions energy: -11.626 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.001 local terms energy: -17.766939 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -27.555194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.555194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.555194 (E_RNA) where: Base-Base interactions energy: -10.395 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.022 local terms energy: -17.138486 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -2.963 flat angles P-C4'-P energy: -1.912 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -37.728753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.728753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.728753 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -12.737 Base-Backbone interact. energy: -0.099 local terms energy: -24.892768 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -39.314792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.314792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.314792 (E_RNA) where: Base-Base interactions energy: -12.949 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.000 local terms energy: -26.365676 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.375 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: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -39.440273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.440273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.440273 (E_RNA) where: Base-Base interactions energy: -16.577 where: short stacking energy: -16.577 Base-Backbone interact. energy: 0.475 local terms energy: -23.338283 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -3.560 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: 4, replica: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -37.883144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.883144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.883144 (E_RNA) where: Base-Base interactions energy: -13.689 where: short stacking energy: -13.689 Base-Backbone interact. energy: -0.001 local terms energy: -24.193366 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.908 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: 388 Temperature: 1.100000 Total energy: -34.207642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.207642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.207642 (E_RNA) where: Base-Base interactions energy: -12.705 where: short stacking energy: -12.705 Base-Backbone interact. energy: -0.020 local terms energy: -21.482919 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -1.838 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: 388 Temperature: 1.150000 Total energy: -34.946217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.946217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.946217 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.022 local terms energy: -22.207712 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.912 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: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -33.477348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.477348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.477348 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.001 local terms energy: -24.879536 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -30.747705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.747705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.747705 (E_RNA) where: Base-Base interactions energy: -7.769 where: short stacking energy: -7.769 Base-Backbone interact. energy: -0.074 local terms energy: -22.904707 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -31.912087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.912087 (E_RNA) where: Base-Base interactions energy: -11.232 where: short stacking energy: -11.232 Base-Backbone interact. energy: -0.000 local terms energy: -20.679500 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.212 flat angles C4'-P-C4' energy: -3.403 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -35.097691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.097691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.097691 (E_RNA) where: Base-Base interactions energy: -14.870 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.001 local terms energy: -20.226333 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.670 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -33.824155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.824155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.824155 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.291 local terms energy: -22.698310 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -4.117 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: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -36.658599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.658599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.658599 (E_RNA) where: Base-Base interactions energy: -12.616 where: short stacking energy: -12.616 Base-Backbone interact. energy: -0.000 local terms energy: -24.042162 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -34.510270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.510270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.510270 (E_RNA) where: Base-Base interactions energy: -12.387 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.029 local terms energy: -22.094651 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -2.855 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: 389 Temperature: 1.050000 Total energy: -34.777215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.777215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.777215 (E_RNA) where: Base-Base interactions energy: -13.402 where: short stacking energy: -13.402 Base-Backbone interact. energy: -0.058 local terms energy: -21.316773 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: 0.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -35.597566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.597566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.597566 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.001 local terms energy: -24.121082 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -1.205 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: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -33.463758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463758 (E_RNA) where: Base-Base interactions energy: -13.450 where: short stacking energy: -13.450 Base-Backbone interact. energy: -0.000 local terms energy: -20.014045 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -31.030890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.030890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.030890 (E_RNA) where: Base-Base interactions energy: -10.406 where: short stacking energy: -10.406 Base-Backbone interact. energy: -0.002 local terms energy: -20.622953 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -32.349012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.349012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.349012 (E_RNA) where: Base-Base interactions energy: -9.897 where: short stacking energy: -9.897 Base-Backbone interact. energy: -0.006 local terms energy: -22.446027 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -5.212 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: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -27.979582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.979582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.979582 (E_RNA) where: Base-Base interactions energy: -9.944 where: short stacking energy: -9.944 Base-Backbone interact. energy: -0.040 local terms energy: -17.996082 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.092 tors. eta vs tors. theta energy: 0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -30.321966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.321966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.321966 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.018 local terms energy: -22.594293 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.918 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: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -41.112999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.112999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.112999 (E_RNA) where: Base-Base interactions energy: -16.919 where: short stacking energy: -16.919 Base-Backbone interact. energy: -0.000 local terms energy: -24.193531 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -36.532271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.532271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.532271 (E_RNA) where: Base-Base interactions energy: -12.980 where: short stacking energy: -12.980 Base-Backbone interact. energy: -0.000 local terms energy: -23.551960 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.755 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: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -37.314258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314258 (E_RNA) where: Base-Base interactions energy: -13.184 where: short stacking energy: -13.184 Base-Backbone interact. energy: -0.000 local terms energy: -24.129410 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -39.043028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.043028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.043028 (E_RNA) where: Base-Base interactions energy: -16.195 where: short stacking energy: -16.195 Base-Backbone interact. energy: -0.000 local terms energy: -22.848060 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -34.624598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.624598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.624598 (E_RNA) where: Base-Base interactions energy: -14.213 where: short stacking energy: -14.213 Base-Backbone interact. energy: -0.042 local terms energy: -20.369362 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.181 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: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -37.606462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.606462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.606462 (E_RNA) where: Base-Base interactions energy: -12.033 where: short stacking energy: -12.033 Base-Backbone interact. energy: -0.005 local terms energy: -25.568158 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.349 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: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -33.063312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.063312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.063312 (E_RNA) where: Base-Base interactions energy: -15.210 where: short stacking energy: -15.210 Base-Backbone interact. energy: 1.340 local terms energy: -19.193306 where: bonds (distance) C4'-P energy: -2.661 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.909 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: 8, replica: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -27.925016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.925016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.925016 (E_RNA) where: Base-Base interactions energy: -8.432 where: short stacking energy: -8.432 Base-Backbone interact. energy: -0.017 local terms energy: -19.475886 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -28.083476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.083476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.083476 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.071 local terms energy: -20.355851 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: 0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -29.903184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.903184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.903184 (E_RNA) where: Base-Base interactions energy: -9.243 where: short stacking energy: -9.243 Base-Backbone interact. energy: -0.000 local terms energy: -20.660412 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -41.632043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.632043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.632043 (E_RNA) where: Base-Base interactions energy: -19.029 where: short stacking energy: -19.029 Base-Backbone interact. energy: -0.016 local terms energy: -22.587072 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.546 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -38.715279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.715279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.715279 (E_RNA) where: Base-Base interactions energy: -14.259 where: short stacking energy: -14.259 Base-Backbone interact. energy: -0.040 local terms energy: -24.416167 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -1.738 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -36.284765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.284765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.284765 (E_RNA) where: Base-Base interactions energy: -13.951 where: short stacking energy: -13.951 Base-Backbone interact. energy: -0.393 local terms energy: -21.939996 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.080 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -4.434 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: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -35.671172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.671172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.671172 (E_RNA) where: Base-Base interactions energy: -12.340 where: short stacking energy: -12.340 Base-Backbone interact. energy: -0.041 local terms energy: -23.290130 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -32.332514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.332514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.332514 (E_RNA) where: Base-Base interactions energy: -8.743 where: short stacking energy: -8.743 Base-Backbone interact. energy: -0.026 local terms energy: -23.562845 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -4.526 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: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -33.062569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.062569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.062569 (E_RNA) where: Base-Base interactions energy: -13.219 where: short stacking energy: -13.219 Base-Backbone interact. energy: -0.021 local terms energy: -19.822461 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -37.696433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696433 (E_RNA) where: Base-Base interactions energy: -15.818 where: short stacking energy: -15.818 Base-Backbone interact. energy: -0.072 local terms energy: -21.806082 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -32.799268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.799268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.799268 (E_RNA) where: Base-Base interactions energy: -11.064 where: short stacking energy: -11.112 Base-Backbone interact. energy: 0.713 local terms energy: -22.448310 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -3.192 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: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -31.042636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.042636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.042636 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.000 local terms energy: -18.456996 where: bonds (distance) C4'-P energy: -3.667 bonds (distance) P-C4' energy: -3.575 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -30.601097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.601097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.601097 (E_RNA) where: Base-Base interactions energy: -8.395 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.050 local terms energy: -22.156611 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -44.017367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.017367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.017367 (E_RNA) where: Base-Base interactions energy: -17.491 where: short stacking energy: -17.491 Base-Backbone interact. energy: -0.001 local terms energy: -26.525618 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -35.546032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.546032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.546032 (E_RNA) where: Base-Base interactions energy: -13.582 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.120 local terms energy: -21.844812 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -3.598 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: 3, replica: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -38.232923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.232923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.232923 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.000 local terms energy: -24.478397 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -4.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -32.765540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.765540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.765540 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -12.472 Base-Backbone interact. energy: -0.001 local terms energy: -20.293106 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.119 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -36.408177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.408177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.408177 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.004 local terms energy: -24.209368 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -29.284180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.284180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.284180 (E_RNA) where: Base-Base interactions energy: -7.978 where: short stacking energy: -8.113 Base-Backbone interact. energy: -0.019 local terms energy: -21.287047 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -36.346134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.346134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.346134 (E_RNA) where: Base-Base interactions energy: -14.419 where: short stacking energy: -14.419 Base-Backbone interact. energy: -0.000 local terms energy: -21.926556 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -2.070 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: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -31.849763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.849763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.849763 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.000 local terms energy: -20.688199 where: bonds (distance) C4'-P energy: -2.437 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -3.923 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: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -33.555901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.555901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.555901 (E_RNA) where: Base-Base interactions energy: -10.316 where: short stacking energy: -10.316 Base-Backbone interact. energy: -0.063 local terms energy: -23.176857 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -27.497717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.497717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.497717 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.001 local terms energy: -16.998551 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -1.525 flat angles P-C4'-P energy: -1.981 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -36.149567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.149567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.149567 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.045 local terms energy: -27.765679 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -5.010 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: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -38.396572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.396572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.396572 (E_RNA) where: Base-Base interactions energy: -15.608 where: short stacking energy: -15.608 Base-Backbone interact. energy: -0.003 local terms energy: -22.785661 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -1.207 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: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -32.243677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.243677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.243677 (E_RNA) where: Base-Base interactions energy: -10.277 where: short stacking energy: -10.277 Base-Backbone interact. energy: -0.361 local terms energy: -21.605841 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -2.588 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: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -35.607490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.607490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.607490 (E_RNA) where: Base-Base interactions energy: -12.681 where: short stacking energy: -12.681 Base-Backbone interact. energy: -0.074 local terms energy: -22.851745 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -32.041279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.041279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.041279 (E_RNA) where: Base-Base interactions energy: -9.082 where: short stacking energy: -9.082 Base-Backbone interact. energy: -0.013 local terms energy: -22.945846 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -0.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -33.507306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.507306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.507306 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.000 local terms energy: -25.924907 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -4.238 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: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -30.999639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.999639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.999639 (E_RNA) where: Base-Base interactions energy: -12.448 where: short stacking energy: -12.448 Base-Backbone interact. energy: -0.087 local terms energy: -18.464613 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -2.957 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: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -36.109707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.109707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.109707 (E_RNA) where: Base-Base interactions energy: -13.747 where: short stacking energy: -13.747 Base-Backbone interact. energy: 0.035 local terms energy: -22.397209 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -36.704663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.704663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.704663 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.052 local terms energy: -24.398091 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.961 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: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -31.127176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.127176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.127176 (E_RNA) where: Base-Base interactions energy: -9.065 where: short stacking energy: -9.065 Base-Backbone interact. energy: -0.000 local terms energy: -22.061549 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -2.931 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: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -43.185918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.185918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.185918 (E_RNA) where: Base-Base interactions energy: -18.172 where: short stacking energy: -18.172 Base-Backbone interact. energy: -0.000 local terms energy: -25.013224 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -5.600 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: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -39.284659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.284659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.284659 (E_RNA) where: Base-Base interactions energy: -17.528 where: short stacking energy: -17.528 Base-Backbone interact. energy: -0.021 local terms energy: -21.735318 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -3.726 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: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -37.718541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.718541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.718541 (E_RNA) where: Base-Base interactions energy: -14.134 where: short stacking energy: -14.134 Base-Backbone interact. energy: -0.000 local terms energy: -23.583877 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -39.120271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.120271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.120271 (E_RNA) where: Base-Base interactions energy: -17.205 where: short stacking energy: -17.205 Base-Backbone interact. energy: -0.001 local terms energy: -21.914366 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -3.085 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -4.986 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: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -32.634052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.634052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.634052 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.003 local terms energy: -22.597213 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.848 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -36.412794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.412794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.412794 (E_RNA) where: Base-Base interactions energy: -13.232 where: short stacking energy: -13.232 Base-Backbone interact. energy: -1.194 local terms energy: -21.987296 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -0.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -30.887333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.887333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.887333 (E_RNA) where: Base-Base interactions energy: -7.461 where: short stacking energy: -7.461 Base-Backbone interact. energy: -0.467 local terms energy: -22.959225 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.157 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: 8, replica: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -32.520224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.520224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.520224 (E_RNA) where: Base-Base interactions energy: -9.894 where: short stacking energy: -9.894 Base-Backbone interact. energy: -0.000 local terms energy: -22.626633 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -4.426 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -26.500591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.500591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.500591 (E_RNA) where: Base-Base interactions energy: -8.584 where: short stacking energy: -8.584 Base-Backbone interact. energy: -0.000 local terms energy: -17.916104 where: bonds (distance) C4'-P energy: -2.578 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -27.979603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.979603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.979603 (E_RNA) where: Base-Base interactions energy: -10.992 where: short stacking energy: -10.992 Base-Backbone interact. energy: -0.036 local terms energy: -16.950926 where: bonds (distance) C4'-P energy: -3.705 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: 0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -40.261637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.261637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.261637 (E_RNA) where: Base-Base interactions energy: -16.937 where: short stacking energy: -16.937 Base-Backbone interact. energy: -0.008 local terms energy: -23.316271 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -38.574985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.574985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.574985 (E_RNA) where: Base-Base interactions energy: -13.282 where: short stacking energy: -13.282 Base-Backbone interact. energy: -0.002 local terms energy: -25.291452 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -35.798760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.798760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.798760 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -13.415 Base-Backbone interact. energy: -0.001 local terms energy: -22.382864 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -4.527 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: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -36.918727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.918727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.918727 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.000 local terms energy: -23.049167 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -3.911 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: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -37.687862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.687862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.687862 (E_RNA) where: Base-Base interactions energy: -12.417 where: short stacking energy: -12.417 Base-Backbone interact. energy: -0.010 local terms energy: -25.261176 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -29.622874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.622874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.622874 (E_RNA) where: Base-Base interactions energy: -8.477 where: short stacking energy: -8.477 Base-Backbone interact. energy: -0.010 local terms energy: -21.135963 where: bonds (distance) C4'-P energy: -4.520 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: 1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -37.165934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.165934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.165934 (E_RNA) where: Base-Base interactions energy: -15.469 where: short stacking energy: -15.469 Base-Backbone interact. energy: -0.023 local terms energy: -21.674138 where: bonds (distance) C4'-P energy: -3.794 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.723 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: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -31.101629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.101629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.101629 (E_RNA) where: Base-Base interactions energy: -6.812 where: short stacking energy: -6.812 Base-Backbone interact. energy: -0.004 local terms energy: -24.286043 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -35.560361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.560361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.560361 (E_RNA) where: Base-Base interactions energy: -11.234 where: short stacking energy: -11.234 Base-Backbone interact. energy: -0.005 local terms energy: -24.320590 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -1.855 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: 10, replica: 5 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -30.256740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.256740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.256740 (E_RNA) where: Base-Base interactions energy: -8.540 where: short stacking energy: -8.540 Base-Backbone interact. energy: -0.000 local terms energy: -21.717095 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -43.227853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.227853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.227853 (E_RNA) where: Base-Base interactions energy: -16.874 where: short stacking energy: -16.874 Base-Backbone interact. energy: -0.000 local terms energy: -26.353363 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -37.003040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.003040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.003040 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.042 local terms energy: -24.982355 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -37.396699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.396699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.396699 (E_RNA) where: Base-Base interactions energy: -12.556 where: short stacking energy: -12.556 Base-Backbone interact. energy: -0.001 local terms energy: -24.840286 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -3.524 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: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -43.598238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.598238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.598238 (E_RNA) where: Base-Base interactions energy: -15.875 where: short stacking energy: -15.875 Base-Backbone interact. energy: -0.000 local terms energy: -27.722761 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -5.595 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: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -31.259079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.259079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.259079 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.086 local terms energy: -23.367976 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -33.056684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.056684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.056684 (E_RNA) where: Base-Base interactions energy: -13.435 where: short stacking energy: -13.535 Base-Backbone interact. energy: -0.005 local terms energy: -19.616594 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -33.513159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.513159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.513159 (E_RNA) where: Base-Base interactions energy: -12.353 where: short stacking energy: -7.930 Base-Backbone interact. energy: -0.005 local terms energy: -21.154784 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: 0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -32.434004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.434004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.434004 (E_RNA) where: Base-Base interactions energy: -13.480 where: short stacking energy: -13.480 Base-Backbone interact. energy: -0.013 local terms energy: -18.941046 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -2.650 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: 0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -29.812197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.812197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.812197 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.005 local terms energy: -19.655298 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -0.524 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: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -30.661582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.661582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.661582 (E_RNA) where: Base-Base interactions energy: -10.330 where: short stacking energy: -10.330 Base-Backbone interact. energy: -0.003 local terms energy: -20.328727 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -39.961183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.961183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.961183 (E_RNA) where: Base-Base interactions energy: -16.826 where: short stacking energy: -16.826 Base-Backbone interact. energy: -0.000 local terms energy: -23.135302 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -37.967100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.967100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.967100 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.026 local terms energy: -24.297854 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -38.936247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.936247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.936247 (E_RNA) where: Base-Base interactions energy: -12.670 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.020 local terms energy: -26.246656 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -3.843 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: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -34.686761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.686761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.686761 (E_RNA) where: Base-Base interactions energy: -9.157 where: short stacking energy: -9.157 Base-Backbone interact. energy: -0.015 local terms energy: -25.514270 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -33.399129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.399129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.399129 (E_RNA) where: Base-Base interactions energy: -11.921 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.005 local terms energy: -21.473107 where: bonds (distance) C4'-P energy: -2.906 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -4.480 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: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -34.580854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.580854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.580854 (E_RNA) where: Base-Base interactions energy: -12.918 where: short stacking energy: -12.918 Base-Backbone interact. energy: -0.002 local terms energy: -21.660504 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -0.444 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: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -35.418517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.418517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.418517 (E_RNA) where: Base-Base interactions energy: -14.339 where: short stacking energy: -14.339 Base-Backbone interact. energy: -0.026 local terms energy: -21.053403 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -30.599585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.599585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.599585 (E_RNA) where: Base-Base interactions energy: -11.241 where: short stacking energy: -11.241 Base-Backbone interact. energy: -0.049 local terms energy: -19.309648 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -4.259 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -31.455023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.455023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.455023 (E_RNA) where: Base-Base interactions energy: -11.815 where: short stacking energy: -11.815 Base-Backbone interact. energy: -0.003 local terms energy: -19.636846 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -27.334470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.334470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.334470 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.000 local terms energy: -17.152409 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -1.718 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -40.490748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.490748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.490748 (E_RNA) where: Base-Base interactions energy: -17.495 where: short stacking energy: -17.495 Base-Backbone interact. energy: -0.000 local terms energy: -22.994969 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.295 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: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -34.348305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.348305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.348305 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.833 Base-Backbone interact. energy: 0.295 local terms energy: -26.810649 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -5.168 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: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -36.650049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650049 (E_RNA) where: Base-Base interactions energy: -14.096 where: short stacking energy: -14.096 Base-Backbone interact. energy: -0.000 local terms energy: -22.553844 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -39.498515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.498515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.498515 (E_RNA) where: Base-Base interactions energy: -14.013 where: short stacking energy: -14.013 Base-Backbone interact. energy: -0.067 local terms energy: -25.418476 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -3.050 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: 5, replica: 9 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -36.270513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.270513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.270513 (E_RNA) where: Base-Base interactions energy: -13.154 where: short stacking energy: -13.154 Base-Backbone interact. energy: -0.934 local terms energy: -22.182175 where: bonds (distance) C4'-P energy: -4.213 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -29.485818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.485818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.485818 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.056 local terms energy: -20.471962 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -3.647 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: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -33.462886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.462886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.462886 (E_RNA) where: Base-Base interactions energy: -12.573 where: short stacking energy: -12.573 Base-Backbone interact. energy: -0.001 local terms energy: -20.889789 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.518 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: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -32.832577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.832577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.832577 (E_RNA) where: Base-Base interactions energy: -10.102 where: short stacking energy: -10.102 Base-Backbone interact. energy: -0.018 local terms energy: -22.712702 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.008 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: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -30.015684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.015684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.015684 (E_RNA) where: Base-Base interactions energy: -6.558 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.102 local terms energy: -23.354921 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -4.799 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: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -30.109515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.109515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.109515 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.553 Base-Backbone interact. energy: -0.003 local terms energy: -19.552612 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -0.790 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: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -39.950094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.950094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.950094 (E_RNA) where: Base-Base interactions energy: -15.937 where: short stacking energy: -15.937 Base-Backbone interact. energy: -0.002 local terms energy: -24.011110 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -37.353836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.353836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.353836 (E_RNA) where: Base-Base interactions energy: -12.187 where: short stacking energy: -12.187 Base-Backbone interact. energy: -0.284 local terms energy: -24.883018 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -35.459695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.459695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.459695 (E_RNA) where: Base-Base interactions energy: -12.565 where: short stacking energy: -12.565 Base-Backbone interact. energy: -0.017 local terms energy: -22.877922 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -34.437622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.437622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.437622 (E_RNA) where: Base-Base interactions energy: -13.554 where: short stacking energy: -13.554 Base-Backbone interact. energy: -0.000 local terms energy: -20.883815 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -1.340 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: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -28.683112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.683112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.683112 (E_RNA) where: Base-Base interactions energy: -11.232 where: short stacking energy: -11.232 Base-Backbone interact. energy: -0.016 local terms energy: -17.435941 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -1.420 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: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -34.917593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.917593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.917593 (E_RNA) where: Base-Base interactions energy: -12.541 where: short stacking energy: -12.541 Base-Backbone interact. energy: -0.000 local terms energy: -22.376858 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -5.184 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: 7, replica: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -34.985842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.985842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.985842 (E_RNA) where: Base-Base interactions energy: -13.460 where: short stacking energy: -13.460 Base-Backbone interact. energy: -0.006 local terms energy: -21.519695 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -2.132 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -33.452241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.452241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.452241 (E_RNA) where: Base-Base interactions energy: -11.535 where: short stacking energy: -11.535 Base-Backbone interact. energy: -0.000 local terms energy: -21.916880 where: bonds (distance) C4'-P energy: -3.443 bonds (distance) P-C4' energy: -2.727 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -5.398 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -28.243141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.243141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.243141 (E_RNA) where: Base-Base interactions energy: -10.354 where: short stacking energy: -10.354 Base-Backbone interact. energy: -0.107 local terms energy: -17.782936 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.116 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -27.907753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.907753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.907753 (E_RNA) where: Base-Base interactions energy: -6.430 where: short stacking energy: -6.430 Base-Backbone interact. energy: -0.006 local terms energy: -21.472208 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -36.740469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.740469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.740469 (E_RNA) where: Base-Base interactions energy: -12.379 where: short stacking energy: -12.379 Base-Backbone interact. energy: -0.031 local terms energy: -24.330597 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -4.829 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: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -37.314676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314676 (E_RNA) where: Base-Base interactions energy: -13.476 where: short stacking energy: -13.476 Base-Backbone interact. energy: -0.000 local terms energy: -23.838567 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -31.389732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.389732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.389732 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.040 local terms energy: -23.549632 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -37.609057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.609057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.609057 (E_RNA) where: Base-Base interactions energy: -13.461 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.106 local terms energy: -24.042174 where: bonds (distance) C4'-P energy: -2.135 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -30.755518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.755518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.755518 (E_RNA) where: Base-Base interactions energy: -10.149 where: short stacking energy: -10.149 Base-Backbone interact. energy: -0.111 local terms energy: -20.495518 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -2.928 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: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -35.609218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.609218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.609218 (E_RNA) where: Base-Base interactions energy: -14.244 where: short stacking energy: -14.244 Base-Backbone interact. energy: -0.006 local terms energy: -21.359079 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -4.439 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: 7, replica: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -32.207711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.207711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.207711 (E_RNA) where: Base-Base interactions energy: -8.334 where: short stacking energy: -8.334 Base-Backbone interact. energy: -0.933 local terms energy: -22.940851 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -29.451587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.451587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.451587 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.000 local terms energy: -22.354973 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -2.674 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: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -30.290560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.290560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.290560 (E_RNA) where: Base-Base interactions energy: -9.255 where: short stacking energy: -9.255 Base-Backbone interact. energy: -0.152 local terms energy: -20.884060 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -3.030 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: 10, replica: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -31.078446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.078446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.078446 (E_RNA) where: Base-Base interactions energy: -10.120 where: short stacking energy: -10.120 Base-Backbone interact. energy: -0.100 local terms energy: -20.859077 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -37.609087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.609087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.609087 (E_RNA) where: Base-Base interactions energy: -13.438 where: short stacking energy: -13.438 Base-Backbone interact. energy: -0.000 local terms energy: -24.171329 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.869 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: 2, replica: 9 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -40.047989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.047989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.047989 (E_RNA) where: Base-Base interactions energy: -14.013 where: short stacking energy: -14.013 Base-Backbone interact. energy: -0.000 local terms energy: -26.034742 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -38.051046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.051046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.051046 (E_RNA) where: Base-Base interactions energy: -16.211 where: short stacking energy: -16.211 Base-Backbone interact. energy: -0.000 local terms energy: -21.839608 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.267 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -37.808345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.808345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.808345 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.001 local terms energy: -24.860925 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -2.207 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: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -33.566074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.566074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.566074 (E_RNA) where: Base-Base interactions energy: -11.221 where: short stacking energy: -11.221 Base-Backbone interact. energy: -0.076 local terms energy: -22.269062 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -0.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -37.749867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.749867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.749867 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -12.813 Base-Backbone interact. energy: -0.000 local terms energy: -24.936443 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -32.514955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.514955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.514955 (E_RNA) where: Base-Base interactions energy: -11.400 where: short stacking energy: -11.400 Base-Backbone interact. energy: -0.017 local terms energy: -21.098291 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -32.061261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.061261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.061261 (E_RNA) where: Base-Base interactions energy: -9.356 where: short stacking energy: -9.356 Base-Backbone interact. energy: -0.022 local terms energy: -22.682884 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -30.841618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.841618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.841618 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.000 local terms energy: -20.337332 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -4.486 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: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -29.819968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.819968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.819968 (E_RNA) where: Base-Base interactions energy: -12.196 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.009 local terms energy: -17.614565 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -2.911 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: 1, replica: 9 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -42.351659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.351659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.351659 (E_RNA) where: Base-Base interactions energy: -14.220 where: short stacking energy: -14.220 Base-Backbone interact. energy: -0.003 local terms energy: -28.127974 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.633 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: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -36.644803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.644803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.644803 (E_RNA) where: Base-Base interactions energy: -11.272 where: short stacking energy: -11.272 Base-Backbone interact. energy: -0.000 local terms energy: -25.372339 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -3.749 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: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -38.034453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.034453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.034453 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.001 local terms energy: -25.106294 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.447 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: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -32.480586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.480586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.480586 (E_RNA) where: Base-Base interactions energy: -11.031 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.000 local terms energy: -21.449591 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -2.074 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: 5, replica: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -33.556103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556103 (E_RNA) where: Base-Base interactions energy: -12.635 where: short stacking energy: -12.776 Base-Backbone interact. energy: -0.003 local terms energy: -20.918291 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -2.382 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: 6, replica: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -28.326094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.326094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.326094 (E_RNA) where: Base-Base interactions energy: -4.775 where: short stacking energy: -4.775 Base-Backbone interact. energy: -0.001 local terms energy: -23.550256 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: 0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -34.532049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.532049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.532049 (E_RNA) where: Base-Base interactions energy: -11.515 where: short stacking energy: -11.515 Base-Backbone interact. energy: 0.400 local terms energy: -23.416972 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.716 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: 8, replica: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -29.817036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.817036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.817036 (E_RNA) where: Base-Base interactions energy: -7.475 where: short stacking energy: -7.475 Base-Backbone interact. energy: -0.050 local terms energy: -22.291574 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.812 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: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -30.353058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.353058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.353058 (E_RNA) where: Base-Base interactions energy: -8.942 where: short stacking energy: -8.942 Base-Backbone interact. energy: -0.099 local terms energy: -21.312340 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -30.470278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.470278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.470278 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.055 Base-Backbone interact. energy: -0.000 local terms energy: -18.414933 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -3.806 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -1.076 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: 1, replica: 9 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -40.502368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.502368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.502368 (E_RNA) where: Base-Base interactions energy: -17.158 where: short stacking energy: -17.158 Base-Backbone interact. energy: -0.001 local terms energy: -23.343314 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -38.659610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.659610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.659610 (E_RNA) where: Base-Base interactions energy: -16.472 where: short stacking energy: -16.472 Base-Backbone interact. energy: -0.000 local terms energy: -22.187495 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -1.179 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -42.289904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.289904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.289904 (E_RNA) where: Base-Base interactions energy: -16.651 where: short stacking energy: -16.651 Base-Backbone interact. energy: -0.000 local terms energy: -25.638322 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -34.499604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.499604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.499604 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.091 local terms energy: -22.736027 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -39.152748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.152748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.152748 (E_RNA) where: Base-Base interactions energy: -16.035 where: short stacking energy: -16.035 Base-Backbone interact. energy: -0.020 local terms energy: -23.097422 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -5.091 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.936 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: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -34.258602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.258602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.258602 (E_RNA) where: Base-Base interactions energy: -13.519 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.011 local terms energy: -20.728363 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -3.760 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: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -34.955890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.955890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.955890 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.001 local terms energy: -25.013594 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.337 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: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -36.873965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.873965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.873965 (E_RNA) where: Base-Base interactions energy: -12.387 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.000 local terms energy: -24.487430 where: bonds (distance) C4'-P energy: -3.511 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -5.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -31.394183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.394183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.394183 (E_RNA) where: Base-Base interactions energy: -10.465 where: short stacking energy: -10.465 Base-Backbone interact. energy: -0.053 local terms energy: -20.876158 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -0.094 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -30.594092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.594092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.594092 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -9.981 Base-Backbone interact. energy: -0.004 local terms energy: -19.334809 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -4.727 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -36.899499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.899499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.899499 (E_RNA) where: Base-Base interactions energy: -10.696 where: short stacking energy: -10.696 Base-Backbone interact. energy: -0.095 local terms energy: -26.107541 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -40.499671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.499671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.499671 (E_RNA) where: Base-Base interactions energy: -14.605 where: short stacking energy: -14.605 Base-Backbone interact. energy: -0.002 local terms energy: -25.893476 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -5.011 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: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -37.045662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.045662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.045662 (E_RNA) where: Base-Base interactions energy: -13.612 where: short stacking energy: -13.612 Base-Backbone interact. energy: -0.099 local terms energy: -23.334415 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -34.681241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.681241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.681241 (E_RNA) where: Base-Base interactions energy: -9.242 where: short stacking energy: -9.242 Base-Backbone interact. energy: -0.001 local terms energy: -25.437930 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -4.123 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: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -31.161098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.161098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.161098 (E_RNA) where: Base-Base interactions energy: -10.084 where: short stacking energy: -10.084 Base-Backbone interact. energy: -0.024 local terms energy: -21.052612 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -30.522865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.522865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.522865 (E_RNA) where: Base-Base interactions energy: -8.917 where: short stacking energy: -8.917 Base-Backbone interact. energy: -0.978 local terms energy: -20.628160 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -3.116 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: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -32.369723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.369723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.369723 (E_RNA) where: Base-Base interactions energy: -10.639 where: short stacking energy: -10.639 Base-Backbone interact. energy: -0.002 local terms energy: -21.728899 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -32.501755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.501755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.501755 (E_RNA) where: Base-Base interactions energy: -14.958 where: short stacking energy: -14.958 Base-Backbone interact. energy: -0.006 local terms energy: -17.537416 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -1.790 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -29.629145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.629145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.629145 (E_RNA) where: Base-Base interactions energy: -9.156 where: short stacking energy: -9.156 Base-Backbone interact. energy: -0.001 local terms energy: -20.472392 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.822 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -29.070148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.070148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.070148 (E_RNA) where: Base-Base interactions energy: -4.073 where: short stacking energy: -4.073 Base-Backbone interact. energy: -0.001 local terms energy: -24.995891 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -39.524252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.524252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.524252 (E_RNA) where: Base-Base interactions energy: -15.143 where: short stacking energy: -15.143 Base-Backbone interact. energy: -0.000 local terms energy: -24.381411 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -42.249290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.249290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.249290 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.000 local terms energy: -28.034887 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -38.914283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.914283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.914283 (E_RNA) where: Base-Base interactions energy: -16.112 where: short stacking energy: -16.112 Base-Backbone interact. energy: -0.022 local terms energy: -22.780619 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -2.156 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: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -32.000050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.000050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.000050 (E_RNA) where: Base-Base interactions energy: -13.571 where: short stacking energy: -13.571 Base-Backbone interact. energy: -0.027 local terms energy: -18.401591 where: bonds (distance) C4'-P energy: -1.505 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.352 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: 5, replica: 8 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -38.112957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.112957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.112957 (E_RNA) where: Base-Base interactions energy: -13.570 where: short stacking energy: -13.570 Base-Backbone interact. energy: -0.000 local terms energy: -24.542674 where: bonds (distance) C4'-P energy: -4.483 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -29.907090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.907090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.907090 (E_RNA) where: Base-Base interactions energy: -9.154 where: short stacking energy: -9.154 Base-Backbone interact. energy: -0.010 local terms energy: -20.742943 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -2.788 flat angles P-C4'-P energy: -4.012 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -29.022995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.022995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.022995 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -14.437 Base-Backbone interact. energy: -0.518 local terms energy: -16.338144 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -4.926 flat angles C4'-P-C4' energy: -1.993 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -33.463392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463392 (E_RNA) where: Base-Base interactions energy: -9.351 where: short stacking energy: -9.351 Base-Backbone interact. energy: -0.000 local terms energy: -24.112528 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.120 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: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -33.081572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.081572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.081572 (E_RNA) where: Base-Base interactions energy: -13.511 where: short stacking energy: -13.511 Base-Backbone interact. energy: 0.223 local terms energy: -19.794027 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -2.844 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -29.222368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.222368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.222368 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.000 local terms energy: -16.342365 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -1.260 flat angles P-C4'-P energy: -0.641 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: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -44.386006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.386006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.386006 (E_RNA) where: Base-Base interactions energy: -17.118 where: short stacking energy: -17.118 Base-Backbone interact. energy: -0.087 local terms energy: -27.180111 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.891 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: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -39.347433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.347433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.347433 (E_RNA) where: Base-Base interactions energy: -13.678 where: short stacking energy: -13.678 Base-Backbone interact. energy: -0.003 local terms energy: -25.666851 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -34.419554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.419554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.419554 (E_RNA) where: Base-Base interactions energy: -9.810 where: short stacking energy: -9.810 Base-Backbone interact. energy: -0.022 local terms energy: -24.587531 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -3.986 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: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -43.550342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.550342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.550342 (E_RNA) where: Base-Base interactions energy: -18.396 where: short stacking energy: -18.396 Base-Backbone interact. energy: -0.034 local terms energy: -25.120696 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -2.970 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: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -34.886747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.886747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.886747 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.000 local terms energy: -26.515173 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -5.239 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: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -35.841465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.841465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.841465 (E_RNA) where: Base-Base interactions energy: -11.553 where: short stacking energy: -11.553 Base-Backbone interact. energy: -0.000 local terms energy: -24.288743 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.310 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: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -28.723239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.723239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.723239 (E_RNA) where: Base-Base interactions energy: -5.761 where: short stacking energy: -5.761 Base-Backbone interact. energy: -0.232 local terms energy: -22.730607 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.403 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: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -34.026469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.026469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.026469 (E_RNA) where: Base-Base interactions energy: -10.821 where: short stacking energy: -12.621 Base-Backbone interact. energy: -0.994 local terms energy: -22.211194 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -29.835828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.835828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.835828 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.000 local terms energy: -21.549726 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -4.747 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: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -32.307170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.307170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.307170 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.000 local terms energy: -20.187869 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.596 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -40.712445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.712445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.712445 (E_RNA) where: Base-Base interactions energy: -15.442 where: short stacking energy: -15.442 Base-Backbone interact. energy: -0.002 local terms energy: -25.267699 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.013 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: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -38.661188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.661188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.661188 (E_RNA) where: Base-Base interactions energy: -13.789 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.000 local terms energy: -24.872659 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -1.797 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -40.552390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.552390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.552390 (E_RNA) where: Base-Base interactions energy: -14.083 where: short stacking energy: -14.083 Base-Backbone interact. energy: -0.001 local terms energy: -26.468149 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.705 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.223 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: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -40.104547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.104547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.104547 (E_RNA) where: Base-Base interactions energy: -13.728 where: short stacking energy: -13.728 Base-Backbone interact. energy: -0.000 local terms energy: -26.376139 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -32.599173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.599173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.599173 (E_RNA) where: Base-Base interactions energy: -8.142 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.036 local terms energy: -24.421823 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -35.015144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.015144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.015144 (E_RNA) where: Base-Base interactions energy: -14.268 where: short stacking energy: -14.268 Base-Backbone interact. energy: -0.000 local terms energy: -20.747572 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -32.992894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.992894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.992894 (E_RNA) where: Base-Base interactions energy: -9.989 where: short stacking energy: -9.989 Base-Backbone interact. energy: -0.043 local terms energy: -22.960660 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -30.086658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.086658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.086658 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.001 local terms energy: -23.188157 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -29.851826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.851826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.851826 (E_RNA) where: Base-Base interactions energy: -10.150 where: short stacking energy: -10.175 Base-Backbone interact. energy: -0.061 local terms energy: -19.640967 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: 0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -29.488937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.488937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.488937 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: 0.281 local terms energy: -22.213804 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -39.314386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.314386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.314386 (E_RNA) where: Base-Base interactions energy: -16.960 where: short stacking energy: -16.960 Base-Backbone interact. energy: -0.000 local terms energy: -22.354076 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.359 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: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -37.765792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.765792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.765792 (E_RNA) where: Base-Base interactions energy: -13.396 where: short stacking energy: -13.396 Base-Backbone interact. energy: -0.000 local terms energy: -24.368933 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -37.587468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.587468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.587468 (E_RNA) where: Base-Base interactions energy: -15.806 where: short stacking energy: -15.806 Base-Backbone interact. energy: -0.019 local terms energy: -21.762322 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -35.402571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.402571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.402571 (E_RNA) where: Base-Base interactions energy: -13.336 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.073 local terms energy: -21.993246 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -4.038 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: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -34.958959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.958959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.958959 (E_RNA) where: Base-Base interactions energy: -9.197 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.002 local terms energy: -25.760054 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -31.017828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.017828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.017828 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -8.700 Base-Backbone interact. energy: -0.053 local terms energy: -22.264719 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -32.424320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.424320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.424320 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.000 local terms energy: -23.702795 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -29.074755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.074755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.074755 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.017 local terms energy: -21.985321 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -4.451 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -34.530394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.530394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.530394 (E_RNA) where: Base-Base interactions energy: -14.061 where: short stacking energy: -14.061 Base-Backbone interact. energy: -0.007 local terms energy: -20.462522 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -29.187583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.187583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.187583 (E_RNA) where: Base-Base interactions energy: -4.941 where: short stacking energy: -4.941 Base-Backbone interact. energy: -0.096 local terms energy: -24.150731 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.340 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: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -38.873572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.873572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.873572 (E_RNA) where: Base-Base interactions energy: -15.019 where: short stacking energy: -15.019 Base-Backbone interact. energy: 1.289 local terms energy: -25.142691 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.004 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: 2, replica: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -35.653817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.653817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.653817 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.066 local terms energy: -24.752815 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.610 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: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -37.522609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.522609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.522609 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.000 local terms energy: -24.871940 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -4.432 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: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -31.300870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.300870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.300870 (E_RNA) where: Base-Base interactions energy: -8.878 where: short stacking energy: -8.878 Base-Backbone interact. energy: -0.715 local terms energy: -21.707074 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.215 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: 5, replica: 10 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -30.707280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.707280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.707280 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -8.768 Base-Backbone interact. energy: -0.043 local terms energy: -21.896521 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -3.212 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: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -38.543033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.543033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.543033 (E_RNA) where: Base-Base interactions energy: -13.572 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.000 local terms energy: -24.970634 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.916 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: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -33.660659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.660659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.660659 (E_RNA) where: Base-Base interactions energy: -11.327 where: short stacking energy: -11.327 Base-Backbone interact. energy: 0.990 local terms energy: -23.323975 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -29.761586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.761586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.761586 (E_RNA) where: Base-Base interactions energy: -7.600 where: short stacking energy: -7.600 Base-Backbone interact. energy: -0.020 local terms energy: -22.141465 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -35.016252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.016252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.016252 (E_RNA) where: Base-Base interactions energy: -13.134 where: short stacking energy: -13.134 Base-Backbone interact. energy: -0.001 local terms energy: -21.881106 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -30.793114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.793114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.793114 (E_RNA) where: Base-Base interactions energy: -8.842 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.095 local terms energy: -21.856353 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.042 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: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -40.522519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.522519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.522519 (E_RNA) where: Base-Base interactions energy: -14.843 where: short stacking energy: -14.843 Base-Backbone interact. energy: -0.098 local terms energy: -25.581837 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -5.551 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: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -38.508992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.508992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.508992 (E_RNA) where: Base-Base interactions energy: -13.103 where: short stacking energy: -13.103 Base-Backbone interact. energy: -0.001 local terms energy: -25.405018 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -35.079947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.079947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.079947 (E_RNA) where: Base-Base interactions energy: -8.865 where: short stacking energy: -8.865 Base-Backbone interact. energy: -0.003 local terms energy: -26.212399 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -34.499177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.499177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.499177 (E_RNA) where: Base-Base interactions energy: -12.866 where: short stacking energy: -12.866 Base-Backbone interact. energy: -0.054 local terms energy: -21.579014 where: bonds (distance) C4'-P energy: -4.280 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.109 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: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -35.836077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.836077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.836077 (E_RNA) where: Base-Base interactions energy: -12.035 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.090 local terms energy: -23.711322 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -36.180284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.180284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.180284 (E_RNA) where: Base-Base interactions energy: -9.959 where: short stacking energy: -9.959 Base-Backbone interact. energy: -0.001 local terms energy: -26.220486 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -5.151 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: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -31.506921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.506921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.506921 (E_RNA) where: Base-Base interactions energy: -9.702 where: short stacking energy: -9.702 Base-Backbone interact. energy: -0.009 local terms energy: -21.795943 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -28.320807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.320807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.320807 (E_RNA) where: Base-Base interactions energy: -9.388 where: short stacking energy: -9.388 Base-Backbone interact. energy: -0.001 local terms energy: -18.932055 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -29.575137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.575137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.575137 (E_RNA) where: Base-Base interactions energy: -9.364 where: short stacking energy: -9.364 Base-Backbone interact. energy: -0.011 local terms energy: -20.199911 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -0.940 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: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -32.400888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.400888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.400888 (E_RNA) where: Base-Base interactions energy: -10.830 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.002 local terms energy: -21.569025 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -41.550568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.550568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.550568 (E_RNA) where: Base-Base interactions energy: -16.940 where: short stacking energy: -16.940 Base-Backbone interact. energy: -0.000 local terms energy: -24.610458 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -2.730 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -7.095 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: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -41.222436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.222436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.222436 (E_RNA) where: Base-Base interactions energy: -16.417 where: short stacking energy: -16.417 Base-Backbone interact. energy: -0.000 local terms energy: -24.805871 where: bonds (distance) C4'-P energy: -3.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -37.083936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.083936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.083936 (E_RNA) where: Base-Base interactions energy: -11.992 where: short stacking energy: -11.992 Base-Backbone interact. energy: -0.000 local terms energy: -25.091806 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -4.026 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: 4, replica: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -38.389636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.389636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.389636 (E_RNA) where: Base-Base interactions energy: -15.261 where: short stacking energy: -15.261 Base-Backbone interact. energy: -0.000 local terms energy: -23.128337 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -1.033 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: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -34.020024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.020024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.020024 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.040 local terms energy: -21.339352 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -30.761322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.761322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.761322 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.032 local terms energy: -20.483082 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -35.820577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.820577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.820577 (E_RNA) where: Base-Base interactions energy: -14.315 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.000 local terms energy: -21.504884 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -0.979 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -31.938763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.938763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.938763 (E_RNA) where: Base-Base interactions energy: -12.334 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.016 local terms energy: -19.588839 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -30.527472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.527472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.527472 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.297 local terms energy: -20.648631 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -39.113069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.113069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.113069 (E_RNA) where: Base-Base interactions energy: -12.408 where: short stacking energy: -12.408 Base-Backbone interact. energy: -0.000 local terms energy: -26.704569 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -37.600030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.600030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.600030 (E_RNA) where: Base-Base interactions energy: -16.224 where: short stacking energy: -16.224 Base-Backbone interact. energy: -0.000 local terms energy: -21.376151 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -1.772 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -40.317810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.317810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.317810 (E_RNA) where: Base-Base interactions energy: -16.409 where: short stacking energy: -16.409 Base-Backbone interact. energy: -0.000 local terms energy: -23.908821 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -6.184 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: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -35.611668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.611668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.611668 (E_RNA) where: Base-Base interactions energy: -12.881 where: short stacking energy: -12.881 Base-Backbone interact. energy: -0.072 local terms energy: -22.659246 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.307 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: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -31.854137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.854137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.854137 (E_RNA) where: Base-Base interactions energy: -7.369 where: short stacking energy: -7.369 Base-Backbone interact. energy: -0.000 local terms energy: -24.484705 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -33.349577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.349577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.349577 (E_RNA) where: Base-Base interactions energy: -10.088 where: short stacking energy: -10.088 Base-Backbone interact. energy: -0.048 local terms energy: -23.213520 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -35.740775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.740775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.740775 (E_RNA) where: Base-Base interactions energy: -16.692 where: short stacking energy: -16.692 Base-Backbone interact. energy: -0.002 local terms energy: -19.046702 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -3.245 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -32.399575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.399575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.399575 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: 0.284 local terms energy: -25.054383 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -34.868484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.868484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.868484 (E_RNA) where: Base-Base interactions energy: -14.873 where: short stacking energy: -14.873 Base-Backbone interact. energy: -0.027 local terms energy: -19.968667 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -3.478 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -1.670 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: 9, replica: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -30.843798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.843798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.843798 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.022 local terms energy: -21.985904 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -0.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -27.861031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.861031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.861031 (E_RNA) where: Base-Base interactions energy: -10.984 where: short stacking energy: -10.984 Base-Backbone interact. energy: -0.095 local terms energy: -16.782059 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -2.310 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: 0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -45.886762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.886762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.886762 (E_RNA) where: Base-Base interactions energy: -16.804 where: short stacking energy: -16.804 Base-Backbone interact. energy: -0.000 local terms energy: -29.082410 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -31.196015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.196015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.196015 (E_RNA) where: Base-Base interactions energy: -9.265 where: short stacking energy: -9.265 Base-Backbone interact. energy: -0.091 local terms energy: -21.840155 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -36.596788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.596788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.596788 (E_RNA) where: Base-Base interactions energy: -11.723 where: short stacking energy: -11.723 Base-Backbone interact. energy: -0.001 local terms energy: -24.872125 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -36.785213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.785213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.785213 (E_RNA) where: Base-Base interactions energy: -13.909 where: short stacking energy: -13.909 Base-Backbone interact. energy: -0.007 local terms energy: -22.869280 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -4.554 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: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -32.832060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.832060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.832060 (E_RNA) where: Base-Base interactions energy: -17.572 where: short stacking energy: -17.572 Base-Backbone interact. energy: 0.337 local terms energy: -15.597577 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -3.328 flat angles C4'-P-C4' energy: -2.222 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -33.161103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.161103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.161103 (E_RNA) where: Base-Base interactions energy: -14.083 where: short stacking energy: -14.083 Base-Backbone interact. energy: -0.929 local terms energy: -18.149420 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -1.036 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: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -30.342169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.342169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.342169 (E_RNA) where: Base-Base interactions energy: -9.607 where: short stacking energy: -9.607 Base-Backbone interact. energy: 0.258 local terms energy: -20.993367 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -33.912427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.912427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.912427 (E_RNA) where: Base-Base interactions energy: -9.665 where: short stacking energy: -9.665 Base-Backbone interact. energy: -0.001 local terms energy: -24.247221 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -29.160113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.160113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.160113 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.001 local terms energy: -19.331816 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: 0.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -29.440367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.440367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.440367 (E_RNA) where: Base-Base interactions energy: -8.726 where: short stacking energy: -8.726 Base-Backbone interact. energy: -0.000 local terms energy: -20.714259 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -41.287702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.287702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.287702 (E_RNA) where: Base-Base interactions energy: -14.872 where: short stacking energy: -14.872 Base-Backbone interact. energy: -0.000 local terms energy: -26.415707 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -3.956 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: 2, replica: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -41.757041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.757041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.757041 (E_RNA) where: Base-Base interactions energy: -15.194 where: short stacking energy: -15.194 Base-Backbone interact. energy: -0.000 local terms energy: -26.563126 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -5.149 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: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -39.065376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.065376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.065376 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.000 local terms energy: -24.604187 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -4.660 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: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -31.679365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.679365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.679365 (E_RNA) where: Base-Base interactions energy: -13.867 where: short stacking energy: -13.867 Base-Backbone interact. energy: -0.001 local terms energy: -17.811919 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: -1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -37.217732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.217732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.217732 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.006 local terms energy: -23.965102 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -33.218340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.218340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.218340 (E_RNA) where: Base-Base interactions energy: -10.713 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.003 local terms energy: -22.503103 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -3.802 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: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -30.706416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.706416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.706416 (E_RNA) where: Base-Base interactions energy: -9.428 where: short stacking energy: -9.428 Base-Backbone interact. energy: -0.017 local terms energy: -21.261442 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -29.636385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.636385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.636385 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.068 Base-Backbone interact. energy: -0.000 local terms energy: -21.568279 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -33.501678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.501678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.501678 (E_RNA) where: Base-Base interactions energy: -9.161 where: short stacking energy: -9.161 Base-Backbone interact. energy: -0.016 local terms energy: -24.325070 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -28.468339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.468339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.468339 (E_RNA) where: Base-Base interactions energy: -8.953 where: short stacking energy: -8.953 Base-Backbone interact. energy: -0.095 local terms energy: -19.420630 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -1.472 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: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -43.110565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.110565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.110565 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -14.646 Base-Backbone interact. energy: -0.056 local terms energy: -28.408884 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -32.647892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.647892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.647892 (E_RNA) where: Base-Base interactions energy: -10.004 where: short stacking energy: -10.004 Base-Backbone interact. energy: -0.104 local terms energy: -22.539231 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -42.199279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.199279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.199279 (E_RNA) where: Base-Base interactions energy: -17.159 where: short stacking energy: -17.159 Base-Backbone interact. energy: -0.000 local terms energy: -25.040066 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -5.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -41.481142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.481142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.481142 (E_RNA) where: Base-Base interactions energy: -16.997 where: short stacking energy: -16.997 Base-Backbone interact. energy: -0.000 local terms energy: -24.483899 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -36.755903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.755903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.755903 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -11.266 Base-Backbone interact. energy: -0.000 local terms energy: -25.489673 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -34.701748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.701748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.701748 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -9.818 Base-Backbone interact. energy: -0.099 local terms energy: -24.784354 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -4.179 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: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -33.128756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.128756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.128756 (E_RNA) where: Base-Base interactions energy: -10.341 where: short stacking energy: -10.341 Base-Backbone interact. energy: -0.024 local terms energy: -22.764226 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.336 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: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -26.544037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.544037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.544037 (E_RNA) where: Base-Base interactions energy: -12.269 where: short stacking energy: -12.269 Base-Backbone interact. energy: -0.011 local terms energy: -14.264452 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.423 flat angles C4'-P-C4' energy: -2.660 flat angles P-C4'-P energy: -0.555 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: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -33.152836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.152836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.152836 (E_RNA) where: Base-Base interactions energy: -9.129 where: short stacking energy: -9.129 Base-Backbone interact. energy: -0.000 local terms energy: -24.023878 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -31.454263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.454263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.454263 (E_RNA) where: Base-Base interactions energy: -7.663 where: short stacking energy: -7.663 Base-Backbone interact. energy: -0.001 local terms energy: -23.790628 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -4.751 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: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -41.586151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.586151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.586151 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -16.836 Base-Backbone interact. energy: -0.155 local terms energy: -24.595082 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.698 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: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -36.553701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.553701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.553701 (E_RNA) where: Base-Base interactions energy: -15.916 where: short stacking energy: -15.916 Base-Backbone interact. energy: -0.081 local terms energy: -20.557297 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: 0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -37.816334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.816334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.816334 (E_RNA) where: Base-Base interactions energy: -14.561 where: short stacking energy: -14.561 Base-Backbone interact. energy: -0.000 local terms energy: -23.255397 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -41.491130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.491130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.491130 (E_RNA) where: Base-Base interactions energy: -17.525 where: short stacking energy: -17.525 Base-Backbone interact. energy: -0.000 local terms energy: -23.965679 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -1.594 tors. eta vs tors. theta energy: -5.549 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: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -36.008870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.008870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.008870 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.001 local terms energy: -22.512818 where: bonds (distance) C4'-P energy: -2.952 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -2.238 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: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -35.888054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.888054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.888054 (E_RNA) where: Base-Base interactions energy: -13.310 where: short stacking energy: -13.310 Base-Backbone interact. energy: -0.000 local terms energy: -22.578040 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -33.429386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.429386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.429386 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.005 local terms energy: -21.109924 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -2.118 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: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -32.044955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.044955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.044955 (E_RNA) where: Base-Base interactions energy: -8.668 where: short stacking energy: -8.668 Base-Backbone interact. energy: 0.141 local terms energy: -23.518307 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -3.694 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: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -26.433554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433554 (E_RNA) where: Base-Base interactions energy: -8.620 where: short stacking energy: -8.644 Base-Backbone interact. energy: -0.000 local terms energy: -17.813367 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.517 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: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -30.491431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.491431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.491431 (E_RNA) where: Base-Base interactions energy: -12.130 where: short stacking energy: -12.130 Base-Backbone interact. energy: -0.000 local terms energy: -18.361399 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -0.953 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: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -39.428818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.428818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.428818 (E_RNA) where: Base-Base interactions energy: -17.629 where: short stacking energy: -17.697 Base-Backbone interact. energy: -0.000 local terms energy: -21.800024 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.608 flat angles P-C4'-P energy: -3.375 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: 2, replica: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -39.484569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.484569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.484569 (E_RNA) where: Base-Base interactions energy: -14.892 where: short stacking energy: -14.892 Base-Backbone interact. energy: -0.033 local terms energy: -24.559685 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.980 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: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -30.631791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.631791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.631791 (E_RNA) where: Base-Base interactions energy: -12.727 where: short stacking energy: -12.727 Base-Backbone interact. energy: -0.070 local terms energy: -17.835339 where: bonds (distance) C4'-P energy: -3.854 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -2.751 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: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -41.036782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.036782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.036782 (E_RNA) where: Base-Base interactions energy: -15.493 where: short stacking energy: -15.493 Base-Backbone interact. energy: -0.067 local terms energy: -25.476093 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.226 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: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -33.758533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.758533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.758533 (E_RNA) where: Base-Base interactions energy: -13.534 where: short stacking energy: -13.534 Base-Backbone interact. energy: -0.019 local terms energy: -20.205968 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -1.861 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: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -36.996923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.996923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.996923 (E_RNA) where: Base-Base interactions energy: -14.810 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.126 local terms energy: -22.061073 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -34.185903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.185903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.185903 (E_RNA) where: Base-Base interactions energy: -13.135 where: short stacking energy: -13.135 Base-Backbone interact. energy: -0.000 local terms energy: -21.050430 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.804 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: 10 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -37.342260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.342260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.342260 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.009 local terms energy: -23.493588 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -31.074186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.074186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.074186 (E_RNA) where: Base-Base interactions energy: -9.084 where: short stacking energy: -9.084 Base-Backbone interact. energy: -0.030 local terms energy: -21.960325 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -28.869663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.869663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.869663 (E_RNA) where: Base-Base interactions energy: -7.905 where: short stacking energy: -7.905 Base-Backbone interact. energy: -0.001 local terms energy: -20.963260 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -39.881462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.881462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.881462 (E_RNA) where: Base-Base interactions energy: -15.341 where: short stacking energy: -15.341 Base-Backbone interact. energy: -0.021 local terms energy: -24.519881 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.365 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: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -39.566630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.566630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.566630 (E_RNA) where: Base-Base interactions energy: -13.992 where: short stacking energy: -13.992 Base-Backbone interact. energy: -0.084 local terms energy: -25.490671 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -42.220508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.220508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.220508 (E_RNA) where: Base-Base interactions energy: -18.101 where: short stacking energy: -18.101 Base-Backbone interact. energy: -0.009 local terms energy: -24.110480 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.426 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: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -36.403336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.403336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.403336 (E_RNA) where: Base-Base interactions energy: -13.999 where: short stacking energy: -13.999 Base-Backbone interact. energy: -0.054 local terms energy: -22.350428 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -2.142 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -33.992566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.992566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.992566 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.020 local terms energy: -22.389161 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -32.426368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.426368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.426368 (E_RNA) where: Base-Base interactions energy: -8.815 where: short stacking energy: -8.815 Base-Backbone interact. energy: -0.002 local terms energy: -23.609505 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -32.247812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.247812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.247812 (E_RNA) where: Base-Base interactions energy: -12.020 where: short stacking energy: -12.020 Base-Backbone interact. energy: -0.196 local terms energy: -20.031658 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -30.526640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.526640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.526640 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.000 local terms energy: -23.032102 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -27.252626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.252626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.252626 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -8.781 Base-Backbone interact. energy: 0.222 local terms energy: -18.694000 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: 0.109 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: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -30.360660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.360660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.360660 (E_RNA) where: Base-Base interactions energy: -9.675 where: short stacking energy: -9.675 Base-Backbone interact. energy: -0.087 local terms energy: -20.598667 where: bonds (distance) C4'-P energy: -3.695 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -2.996 flat angles P-C4'-P energy: -5.109 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: 1, replica: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -39.334188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.334188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.334188 (E_RNA) where: Base-Base interactions energy: -17.146 where: short stacking energy: -17.146 Base-Backbone interact. energy: -0.000 local terms energy: -22.188285 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -2.676 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: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -39.170672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.170672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.170672 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.000 local terms energy: -25.014162 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -39.360924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.360924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.360924 (E_RNA) where: Base-Base interactions energy: -16.831 where: short stacking energy: -16.831 Base-Backbone interact. energy: -0.107 local terms energy: -22.422367 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -35.772008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.772008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.772008 (E_RNA) where: Base-Base interactions energy: -12.675 where: short stacking energy: -12.675 Base-Backbone interact. energy: -0.043 local terms energy: -23.053959 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -4.894 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: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -38.102739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.102739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.102739 (E_RNA) where: Base-Base interactions energy: -14.451 where: short stacking energy: -14.451 Base-Backbone interact. energy: -0.000 local terms energy: -23.651670 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -3.939 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -5.435 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: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -29.845518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.845518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.845518 (E_RNA) where: Base-Base interactions energy: -7.190 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.013 local terms energy: -22.642776 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -3.759 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: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -28.776272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.776272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.776272 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.026 local terms energy: -21.307451 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.001 flat angles P-C4'-P energy: -5.259 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: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -27.907600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.907600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.907600 (E_RNA) where: Base-Base interactions energy: -8.345 where: short stacking energy: -8.345 Base-Backbone interact. energy: -0.833 local terms energy: -18.730009 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.461 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -29.720245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.720245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.720245 (E_RNA) where: Base-Base interactions energy: -8.314 where: short stacking energy: -8.314 Base-Backbone interact. energy: -0.016 local terms energy: -21.390040 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.607 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: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -30.603614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.603614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.603614 (E_RNA) where: Base-Base interactions energy: -8.144 where: short stacking energy: -8.144 Base-Backbone interact. energy: -0.000 local terms energy: -22.459419 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -37.836743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.836743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.836743 (E_RNA) where: Base-Base interactions energy: -12.026 where: short stacking energy: -12.026 Base-Backbone interact. energy: 0.491 local terms energy: -26.301394 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.236 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: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -37.876419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.876419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.876419 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.001 local terms energy: -24.879377 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.202 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: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -40.768931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.768931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.768931 (E_RNA) where: Base-Base interactions energy: -14.176 where: short stacking energy: -14.176 Base-Backbone interact. energy: -0.021 local terms energy: -26.571778 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -36.427156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.427156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.427156 (E_RNA) where: Base-Base interactions energy: -13.546 where: short stacking energy: -13.546 Base-Backbone interact. energy: -0.006 local terms energy: -22.874214 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -4.886 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -34.607247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.607247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.607247 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.004 local terms energy: -21.251477 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.912 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -33.203933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.203933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.203933 (E_RNA) where: Base-Base interactions energy: -13.689 where: short stacking energy: -13.689 Base-Backbone interact. energy: -0.104 local terms energy: -19.411899 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -37.800059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.800059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.800059 (E_RNA) where: Base-Base interactions energy: -14.537 where: short stacking energy: -14.537 Base-Backbone interact. energy: -0.098 local terms energy: -23.164575 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -35.029477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.029477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.029477 (E_RNA) where: Base-Base interactions energy: -11.891 where: short stacking energy: -11.891 Base-Backbone interact. energy: -0.000 local terms energy: -23.137934 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -32.937378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.937378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.937378 (E_RNA) where: Base-Base interactions energy: -9.482 where: short stacking energy: -9.482 Base-Backbone interact. energy: -0.100 local terms energy: -23.355591 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -28.859278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.859278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.859278 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.001 local terms energy: -19.989716 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -40.303309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.303309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.303309 (E_RNA) where: Base-Base interactions energy: -16.562 where: short stacking energy: -16.562 Base-Backbone interact. energy: -0.003 local terms energy: -23.737799 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -35.692557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.692557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.692557 (E_RNA) where: Base-Base interactions energy: -13.398 where: short stacking energy: -13.398 Base-Backbone interact. energy: -0.029 local terms energy: -22.265271 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -44.699400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.699400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.699400 (E_RNA) where: Base-Base interactions energy: -16.624 where: short stacking energy: -16.624 Base-Backbone interact. energy: -0.010 local terms energy: -28.065820 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -36.455258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.455258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.455258 (E_RNA) where: Base-Base interactions energy: -9.559 where: short stacking energy: -9.559 Base-Backbone interact. energy: -0.092 local terms energy: -26.803931 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -5.399 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: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -39.104905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.104905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.104905 (E_RNA) where: Base-Base interactions energy: -18.745 where: short stacking energy: -18.745 Base-Backbone interact. energy: -0.000 local terms energy: -20.359527 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -2.703 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: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -31.407123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.407123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.407123 (E_RNA) where: Base-Base interactions energy: -9.360 where: short stacking energy: -9.360 Base-Backbone interact. energy: -0.189 local terms energy: -21.857179 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -3.701 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: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -31.838101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.838101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.838101 (E_RNA) where: Base-Base interactions energy: -9.569 where: short stacking energy: -9.569 Base-Backbone interact. energy: -0.040 local terms energy: -22.229216 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -31.313607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.313607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.313607 (E_RNA) where: Base-Base interactions energy: -7.865 where: short stacking energy: -7.865 Base-Backbone interact. energy: -0.135 local terms energy: -23.313995 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -1.514 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: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -26.916627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.916627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.916627 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.014 local terms energy: -17.659463 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: 0.491 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: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -27.435404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.435404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.435404 (E_RNA) where: Base-Base interactions energy: -4.662 where: short stacking energy: -4.662 Base-Backbone interact. energy: -0.003 local terms energy: -22.770227 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.530 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: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -42.203229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.203229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.203229 (E_RNA) where: Base-Base interactions energy: -17.022 where: short stacking energy: -17.022 Base-Backbone interact. energy: -0.000 local terms energy: -25.181527 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -40.929295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.929295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.929295 (E_RNA) where: Base-Base interactions energy: -15.007 where: short stacking energy: -15.007 Base-Backbone interact. energy: -0.086 local terms energy: -25.835615 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -37.775802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.775802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.775802 (E_RNA) where: Base-Base interactions energy: -14.975 where: short stacking energy: -14.975 Base-Backbone interact. energy: -0.002 local terms energy: -22.798583 where: bonds (distance) C4'-P energy: -4.194 bonds (distance) P-C4' energy: -3.806 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -40.634606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.634606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.634606 (E_RNA) where: Base-Base interactions energy: -16.846 where: short stacking energy: -16.846 Base-Backbone interact. energy: -0.000 local terms energy: -23.788623 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -3.340 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -35.214885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.214885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.214885 (E_RNA) where: Base-Base interactions energy: -11.626 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.020 local terms energy: -23.569011 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.467 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -36.418666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.418666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.418666 (E_RNA) where: Base-Base interactions energy: -13.654 where: short stacking energy: -13.654 Base-Backbone interact. energy: -0.000 local terms energy: -22.764595 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.743 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: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -38.476563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.476563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.476563 (E_RNA) where: Base-Base interactions energy: -14.774 where: short stacking energy: -14.774 Base-Backbone interact. energy: -0.000 local terms energy: -23.702299 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -37.082899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082899 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.030 local terms energy: -23.667835 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -4.110 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: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -29.856245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.856245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.856245 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -4.906 Base-Backbone interact. energy: -0.031 local terms energy: -20.405824 where: bonds (distance) C4'-P energy: -3.159 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -29.298877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.298877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.298877 (E_RNA) where: Base-Base interactions energy: -9.772 where: short stacking energy: -9.772 Base-Backbone interact. energy: -0.004 local terms energy: -19.523310 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -43.221115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.221115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.221115 (E_RNA) where: Base-Base interactions energy: -17.905 where: short stacking energy: -17.905 Base-Backbone interact. energy: -0.000 local terms energy: -25.315642 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.061 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: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -35.533346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.533346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.533346 (E_RNA) where: Base-Base interactions energy: -13.745 where: short stacking energy: -13.745 Base-Backbone interact. energy: -0.051 local terms energy: -21.737072 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.289 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: 3, replica: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -34.941297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.941297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.941297 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.040 local terms energy: -24.928843 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -5.222 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: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -35.472778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.472778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.472778 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.003 local terms energy: -21.459475 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -2.339 flat angles P-C4'-P energy: -4.983 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: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -36.583034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.583034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.583034 (E_RNA) where: Base-Base interactions energy: -12.489 where: short stacking energy: -12.489 Base-Backbone interact. energy: -0.053 local terms energy: -24.041448 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -35.311547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.311547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.311547 (E_RNA) where: Base-Base interactions energy: -13.515 where: short stacking energy: -13.599 Base-Backbone interact. energy: -0.550 local terms energy: -21.246126 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -33.423547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.423547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.423547 (E_RNA) where: Base-Base interactions energy: -12.966 where: short stacking energy: -12.966 Base-Backbone interact. energy: -0.097 local terms energy: -20.359840 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -2.512 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: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -29.478171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.478171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.478171 (E_RNA) where: Base-Base interactions energy: -8.041 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.274 local terms energy: -21.163316 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -4.207 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: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -33.776370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.776370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.776370 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.019 local terms energy: -23.231402 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -5.103 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: 10, replica: 2 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -29.403626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.403626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.403626 (E_RNA) where: Base-Base interactions energy: -11.347 where: short stacking energy: -11.347 Base-Backbone interact. energy: 1.531 local terms energy: -19.587627 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -42.342882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.342882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.342882 (E_RNA) where: Base-Base interactions energy: -15.236 where: short stacking energy: -15.236 Base-Backbone interact. energy: -0.006 local terms energy: -27.101623 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -40.388657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.388657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.388657 (E_RNA) where: Base-Base interactions energy: -17.537 where: short stacking energy: -17.537 Base-Backbone interact. energy: -0.004 local terms energy: -22.847035 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.290 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: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -38.115650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.115650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.115650 (E_RNA) where: Base-Base interactions energy: -15.127 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.002 local terms energy: -22.987337 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.981 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: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -37.140382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.140382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.140382 (E_RNA) where: Base-Base interactions energy: -14.546 where: short stacking energy: -14.546 Base-Backbone interact. energy: -0.062 local terms energy: -22.532058 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.858 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: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -33.162117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.162117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.162117 (E_RNA) where: Base-Base interactions energy: -11.045 where: short stacking energy: -11.045 Base-Backbone interact. energy: -0.012 local terms energy: -22.105621 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -32.077186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.077186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.077186 (E_RNA) where: Base-Base interactions energy: -8.946 where: short stacking energy: -8.946 Base-Backbone interact. energy: -0.001 local terms energy: -23.130577 where: bonds (distance) C4'-P energy: -4.474 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -38.334186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.334186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.334186 (E_RNA) where: Base-Base interactions energy: -14.000 where: short stacking energy: -14.000 Base-Backbone interact. energy: -0.000 local terms energy: -24.333587 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -4.617 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: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -30.464281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.464281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.464281 (E_RNA) where: Base-Base interactions energy: -11.154 where: short stacking energy: -11.154 Base-Backbone interact. energy: 0.056 local terms energy: -19.366545 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -25.288928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.288928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.288928 (E_RNA) where: Base-Base interactions energy: -4.615 where: short stacking energy: -4.615 Base-Backbone interact. energy: -0.201 local terms energy: -20.472648 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -4.870 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: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -29.413812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.413812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.413812 (E_RNA) where: Base-Base interactions energy: -7.193 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.001 local terms energy: -22.219948 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -41.490966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.490966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.490966 (E_RNA) where: Base-Base interactions energy: -14.847 where: short stacking energy: -14.847 Base-Backbone interact. energy: -0.095 local terms energy: -26.549260 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -38.350495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.350495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.350495 (E_RNA) where: Base-Base interactions energy: -14.705 where: short stacking energy: -14.705 Base-Backbone interact. energy: -0.000 local terms energy: -23.645156 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -5.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -39.356946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.356946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.356946 (E_RNA) where: Base-Base interactions energy: -13.272 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.001 local terms energy: -26.084110 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -38.661668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.661668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.661668 (E_RNA) where: Base-Base interactions energy: -14.537 where: short stacking energy: -14.537 Base-Backbone interact. energy: -0.035 local terms energy: -24.089406 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.246 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: 5, replica: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -31.638677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.638677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.638677 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.007 local terms energy: -19.674472 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -31.512069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.512069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.512069 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.000 local terms energy: -24.390178 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -2.832 flat angles P-C4'-P energy: -3.547 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: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -32.481975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.481975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.481975 (E_RNA) where: Base-Base interactions energy: -9.151 where: short stacking energy: -9.151 Base-Backbone interact. energy: -0.000 local terms energy: -23.330862 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -2.255 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: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -37.738460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.738460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.738460 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.059 local terms energy: -23.953409 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -4.306 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: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -30.758794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.758794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.758794 (E_RNA) where: Base-Base interactions energy: -11.751 where: short stacking energy: -11.751 Base-Backbone interact. energy: -0.000 local terms energy: -19.007460 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -2.518 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: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -29.517222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.517222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.517222 (E_RNA) where: Base-Base interactions energy: -12.329 where: short stacking energy: -12.329 Base-Backbone interact. energy: -0.033 local terms energy: -17.154902 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -1.238 tors. eta vs tors. theta energy: -0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -38.801176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.801176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.801176 (E_RNA) where: Base-Base interactions energy: -16.063 where: short stacking energy: -16.063 Base-Backbone interact. energy: -0.000 local terms energy: -22.737424 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -40.954626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.954626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.954626 (E_RNA) where: Base-Base interactions energy: -15.529 where: short stacking energy: -15.529 Base-Backbone interact. energy: -0.001 local terms energy: -25.423813 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.275 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: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -39.283795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.283795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.283795 (E_RNA) where: Base-Base interactions energy: -16.077 where: short stacking energy: -16.077 Base-Backbone interact. energy: -0.000 local terms energy: -23.206475 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.902 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -37.344028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.344028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.344028 (E_RNA) where: Base-Base interactions energy: -14.754 where: short stacking energy: -14.754 Base-Backbone interact. energy: -0.002 local terms energy: -22.588931 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -4.175 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: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -31.692912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.692912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.692912 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.041 local terms energy: -23.914643 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -33.737193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.737193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.737193 (E_RNA) where: Base-Base interactions energy: -10.629 where: short stacking energy: -10.629 Base-Backbone interact. energy: -0.000 local terms energy: -23.108234 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -37.709357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.709357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.709357 (E_RNA) where: Base-Base interactions energy: -13.961 where: short stacking energy: -13.961 Base-Backbone interact. energy: -0.005 local terms energy: -23.743204 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -4.730 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: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -32.914130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.914130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.914130 (E_RNA) where: Base-Base interactions energy: -9.267 where: short stacking energy: -9.267 Base-Backbone interact. energy: -0.000 local terms energy: -23.646552 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -4.641 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: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -29.231783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.231783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.231783 (E_RNA) where: Base-Base interactions energy: -9.513 where: short stacking energy: -9.513 Base-Backbone interact. energy: -0.004 local terms energy: -19.714636 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -24.113086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.113086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.113086 (E_RNA) where: Base-Base interactions energy: -5.020 where: short stacking energy: -5.020 Base-Backbone interact. energy: -0.013 local terms energy: -19.079492 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: 0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -41.159857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.159857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.159857 (E_RNA) where: Base-Base interactions energy: -15.192 where: short stacking energy: -15.192 Base-Backbone interact. energy: -0.000 local terms energy: -25.968325 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -39.200429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.200429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.200429 (E_RNA) where: Base-Base interactions energy: -12.775 where: short stacking energy: -12.775 Base-Backbone interact. energy: -0.000 local terms energy: -26.425164 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -36.090841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.090841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.090841 (E_RNA) where: Base-Base interactions energy: -11.361 where: short stacking energy: -11.361 Base-Backbone interact. energy: -0.005 local terms energy: -24.724721 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -35.425590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.425590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.425590 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -11.570 Base-Backbone interact. energy: -0.011 local terms energy: -23.844003 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -2.684 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: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -40.369998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.369998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.369998 (E_RNA) where: Base-Base interactions energy: -14.614 where: short stacking energy: -14.614 Base-Backbone interact. energy: -0.001 local terms energy: -25.755898 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -6.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -34.336769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.336769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.336769 (E_RNA) where: Base-Base interactions energy: -13.074 where: short stacking energy: -13.074 Base-Backbone interact. energy: -0.057 local terms energy: -21.206135 where: bonds (distance) C4'-P energy: -3.886 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -31.347841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.347841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.347841 (E_RNA) where: Base-Base interactions energy: -11.099 where: short stacking energy: -11.099 Base-Backbone interact. energy: 0.617 local terms energy: -20.865561 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -30.437729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.437729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.437729 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: -0.001 local terms energy: -21.849284 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -3.151 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: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -33.351111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.351111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.351111 (E_RNA) where: Base-Base interactions energy: -13.785 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.000 local terms energy: -19.566316 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -2.966 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -29.121342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.121342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.121342 (E_RNA) where: Base-Base interactions energy: -13.002 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.032 local terms energy: -16.087101 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -2.164 flat angles P-C4'-P energy: 0.254 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -39.145557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.145557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.145557 (E_RNA) where: Base-Base interactions energy: -14.428 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.000 local terms energy: -24.717017 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -37.043689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.043689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.043689 (E_RNA) where: Base-Base interactions energy: -12.536 where: short stacking energy: -12.536 Base-Backbone interact. energy: -0.099 local terms energy: -24.407786 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -34.194571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.194571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.194571 (E_RNA) where: Base-Base interactions energy: -13.274 where: short stacking energy: -13.274 Base-Backbone interact. energy: -0.001 local terms energy: -20.919198 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -37.519163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.519163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.519163 (E_RNA) where: Base-Base interactions energy: -16.860 where: short stacking energy: -16.860 Base-Backbone interact. energy: -0.000 local terms energy: -20.659117 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -1.932 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -33.228391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.228391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.228391 (E_RNA) where: Base-Base interactions energy: -9.651 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.000 local terms energy: -23.577059 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.197 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: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -27.535113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.535113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.535113 (E_RNA) where: Base-Base interactions energy: -8.731 where: short stacking energy: -8.731 Base-Backbone interact. energy: 1.331 local terms energy: -20.135165 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -33.835583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.835583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.835583 (E_RNA) where: Base-Base interactions energy: -12.710 where: short stacking energy: -12.710 Base-Backbone interact. energy: -0.005 local terms energy: -21.121242 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -5.507 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: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -31.342109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.342109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.342109 (E_RNA) where: Base-Base interactions energy: -12.034 where: short stacking energy: -12.034 Base-Backbone interact. energy: -0.000 local terms energy: -19.307926 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -1.305 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: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -29.281358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.281358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.281358 (E_RNA) where: Base-Base interactions energy: -10.645 where: short stacking energy: -10.645 Base-Backbone interact. energy: -0.032 local terms energy: -18.604690 where: bonds (distance) C4'-P energy: -1.163 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -4.104 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: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -31.519334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.519334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.519334 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.080 local terms energy: -23.260767 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.962 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -38.288176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.288176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.288176 (E_RNA) where: Base-Base interactions energy: -13.991 where: short stacking energy: -13.991 Base-Backbone interact. energy: -1.429 local terms energy: -22.868545 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -38.587574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.587574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.587574 (E_RNA) where: Base-Base interactions energy: -14.722 where: short stacking energy: -14.722 Base-Backbone interact. energy: -0.038 local terms energy: -23.826922 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -35.825708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.825708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.825708 (E_RNA) where: Base-Base interactions energy: -14.299 where: short stacking energy: -13.233 Base-Backbone interact. energy: -0.001 local terms energy: -21.526597 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -3.778 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: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -37.414727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.414727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.414727 (E_RNA) where: Base-Base interactions energy: -15.186 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.000 local terms energy: -22.229046 where: bonds (distance) C4'-P energy: -2.566 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -5.403 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: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -33.940456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.940456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.940456 (E_RNA) where: Base-Base interactions energy: -13.290 where: short stacking energy: -13.290 Base-Backbone interact. energy: 1.173 local terms energy: -21.823098 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -34.386503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.386503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.386503 (E_RNA) where: Base-Base interactions energy: -12.491 where: short stacking energy: -12.491 Base-Backbone interact. energy: 0.044 local terms energy: -21.939549 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -3.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -27.488344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.488344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.488344 (E_RNA) where: Base-Base interactions energy: -9.515 where: short stacking energy: -9.515 Base-Backbone interact. energy: -0.195 local terms energy: -17.777782 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -33.793223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.793223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.793223 (E_RNA) where: Base-Base interactions energy: -10.272 where: short stacking energy: -10.272 Base-Backbone interact. energy: -0.083 local terms energy: -23.438216 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.141 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: 9, replica: 8 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -25.883080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.883080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.883080 (E_RNA) where: Base-Base interactions energy: -5.467 where: short stacking energy: -5.467 Base-Backbone interact. energy: -0.187 local terms energy: -20.229776 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -3.824 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -32.062886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.062886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.062886 (E_RNA) where: Base-Base interactions energy: -13.539 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.006 local terms energy: -18.518515 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -42.277107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.277107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.277107 (E_RNA) where: Base-Base interactions energy: -17.867 where: short stacking energy: -17.867 Base-Backbone interact. energy: -0.065 local terms energy: -24.344390 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -38.255444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.255444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.255444 (E_RNA) where: Base-Base interactions energy: -15.682 where: short stacking energy: -15.682 Base-Backbone interact. energy: -0.000 local terms energy: -22.573727 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -43.003898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.003898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.003898 (E_RNA) where: Base-Base interactions energy: -18.322 where: short stacking energy: -18.322 Base-Backbone interact. energy: -0.000 local terms energy: -24.681751 where: bonds (distance) C4'-P energy: -3.701 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -3.246 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: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -36.950180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.950180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.950180 (E_RNA) where: Base-Base interactions energy: -12.842 where: short stacking energy: -12.842 Base-Backbone interact. energy: -0.086 local terms energy: -24.021530 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -34.816771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.816771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.816771 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.002 local terms energy: -23.066209 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -34.989879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.989879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.989879 (E_RNA) where: Base-Base interactions energy: -12.848 where: short stacking energy: -12.848 Base-Backbone interact. energy: -0.000 local terms energy: -22.141357 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.078 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: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -35.513194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.513194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.513194 (E_RNA) where: Base-Base interactions energy: -9.341 where: short stacking energy: -9.341 Base-Backbone interact. energy: -0.000 local terms energy: -26.171867 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -3.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -28.882377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.882377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.882377 (E_RNA) where: Base-Base interactions energy: -6.972 where: short stacking energy: -6.972 Base-Backbone interact. energy: -0.007 local terms energy: -21.903297 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.147 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: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -28.869440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.869440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.869440 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.008 local terms energy: -19.728333 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.525 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -33.976052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.976052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.976052 (E_RNA) where: Base-Base interactions energy: -12.815 where: short stacking energy: -12.815 Base-Backbone interact. energy: -0.000 local terms energy: -21.161131 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -44.062748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.062748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.062748 (E_RNA) where: Base-Base interactions energy: -17.376 where: short stacking energy: -17.376 Base-Backbone interact. energy: -0.003 local terms energy: -26.684447 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -36.841347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.841347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.841347 (E_RNA) where: Base-Base interactions energy: -11.807 where: short stacking energy: -11.807 Base-Backbone interact. energy: -0.000 local terms energy: -25.034276 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -4.706 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: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -36.251108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.251108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.251108 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: -0.006 local terms energy: -22.654139 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -3.750 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -32.521027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.521027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.521027 (E_RNA) where: Base-Base interactions energy: -13.779 where: short stacking energy: -13.779 Base-Backbone interact. energy: 0.953 local terms energy: -19.695332 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -4.467 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: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -34.155021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.155021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.155021 (E_RNA) where: Base-Base interactions energy: -13.261 where: short stacking energy: -13.261 Base-Backbone interact. energy: 0.291 local terms energy: -21.185379 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -33.872438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872438 (E_RNA) where: Base-Base interactions energy: -8.998 where: short stacking energy: -8.998 Base-Backbone interact. energy: -0.000 local terms energy: -24.873961 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.527 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: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -34.795282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.795282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.795282 (E_RNA) where: Base-Base interactions energy: -9.179 where: short stacking energy: -9.230 Base-Backbone interact. energy: -0.098 local terms energy: -25.517993 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -5.697 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: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -38.293551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.293551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.293551 (E_RNA) where: Base-Base interactions energy: -13.090 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.019 local terms energy: -25.185499 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -33.307418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.307418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.307418 (E_RNA) where: Base-Base interactions energy: -12.430 where: short stacking energy: -12.430 Base-Backbone interact. energy: -0.000 local terms energy: -20.877236 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -3.478 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -2.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -29.050201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.050201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.050201 (E_RNA) where: Base-Base interactions energy: -9.176 where: short stacking energy: -9.176 Base-Backbone interact. energy: -0.000 local terms energy: -19.874509 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -3.453 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -38.490192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.490192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.490192 (E_RNA) where: Base-Base interactions energy: -14.212 where: short stacking energy: -14.212 Base-Backbone interact. energy: -0.006 local terms energy: -24.272091 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -42.826483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.826483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.826483 (E_RNA) where: Base-Base interactions energy: -14.118 where: short stacking energy: -14.118 Base-Backbone interact. energy: -0.000 local terms energy: -28.708799 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -6.436 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: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -33.053059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.053059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.053059 (E_RNA) where: Base-Base interactions energy: -12.480 where: short stacking energy: -12.480 Base-Backbone interact. energy: -0.005 local terms energy: -20.567891 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: 0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -36.305467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.305467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.305467 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.094 local terms energy: -26.428351 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -4.284 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: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -37.813089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.813089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.813089 (E_RNA) where: Base-Base interactions energy: -13.271 where: short stacking energy: -13.271 Base-Backbone interact. energy: -0.049 local terms energy: -24.493288 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -32.089540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.089540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.089540 (E_RNA) where: Base-Base interactions energy: -10.734 where: short stacking energy: -10.734 Base-Backbone interact. energy: -0.000 local terms energy: -21.355051 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -33.206267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.206267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.206267 (E_RNA) where: Base-Base interactions energy: -10.668 where: short stacking energy: -10.668 Base-Backbone interact. energy: -0.054 local terms energy: -22.484858 where: bonds (distance) C4'-P energy: -2.516 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -36.667438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.667438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.667438 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.360 Base-Backbone interact. energy: -0.042 local terms energy: -24.265531 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -32.542453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.542453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.542453 (E_RNA) where: Base-Base interactions energy: -14.230 where: short stacking energy: -14.230 Base-Backbone interact. energy: -0.011 local terms energy: -18.301467 where: bonds (distance) C4'-P energy: -2.107 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -1.656 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: 10, replica: 1 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -25.946335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.946335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.946335 (E_RNA) where: Base-Base interactions energy: -9.363 where: short stacking energy: -9.363 Base-Backbone interact. energy: -0.036 local terms energy: -16.547408 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -3.588 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: 1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -38.121466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.121466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.121466 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -13.236 Base-Backbone interact. energy: -0.023 local terms energy: -24.862312 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -37.522113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.522113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.522113 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.006 local terms energy: -25.148445 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -5.163 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: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -39.353314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.353314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.353314 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.002 local terms energy: -25.399687 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -3.463 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -7.353 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: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -36.414257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.414257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.414257 (E_RNA) where: Base-Base interactions energy: -13.819 where: short stacking energy: -13.819 Base-Backbone interact. energy: -0.003 local terms energy: -22.592723 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -3.435 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: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -31.861564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.861564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.861564 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -12.280 Base-Backbone interact. energy: -0.006 local terms energy: -19.575402 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.788 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: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -40.062715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.062715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.062715 (E_RNA) where: Base-Base interactions energy: -13.747 where: short stacking energy: -13.747 Base-Backbone interact. energy: -0.000 local terms energy: -26.315447 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -29.263655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.263655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.263655 (E_RNA) where: Base-Base interactions energy: -13.349 where: short stacking energy: -13.349 Base-Backbone interact. energy: -0.054 local terms energy: -15.860907 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -1.451 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -31.222851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.222851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.222851 (E_RNA) where: Base-Base interactions energy: -6.897 where: short stacking energy: -6.897 Base-Backbone interact. energy: -0.007 local terms energy: -24.318919 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -25.993803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.993803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.993803 (E_RNA) where: Base-Base interactions energy: -8.429 where: short stacking energy: -8.429 Base-Backbone interact. energy: -0.006 local terms energy: -17.558645 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -0.641 flat angles P-C4'-P energy: -4.462 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: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -26.183524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.183524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.183524 (E_RNA) where: Base-Base interactions energy: -9.981 where: short stacking energy: -9.981 Base-Backbone interact. energy: -0.000 local terms energy: -16.202160 where: bonds (distance) C4'-P energy: -2.326 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -1.684 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: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -45.725587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.725587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.725587 (E_RNA) where: Base-Base interactions energy: -18.521 where: short stacking energy: -18.521 Base-Backbone interact. energy: -0.000 local terms energy: -27.204741 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -6.674 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: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -40.110858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.110858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.110858 (E_RNA) where: Base-Base interactions energy: -14.922 where: short stacking energy: -14.922 Base-Backbone interact. energy: -0.007 local terms energy: -25.182417 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -2.990 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -36.840682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.840682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.840682 (E_RNA) where: Base-Base interactions energy: -12.700 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.027 local terms energy: -24.113015 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.341 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: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -30.485711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.485711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.485711 (E_RNA) where: Base-Base interactions energy: -10.426 where: short stacking energy: -10.426 Base-Backbone interact. energy: -0.001 local terms energy: -20.059373 where: bonds (distance) C4'-P energy: -3.580 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -42.136642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.136642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.136642 (E_RNA) where: Base-Base interactions energy: -17.928 where: short stacking energy: -17.928 Base-Backbone interact. energy: -0.004 local terms energy: -24.204320 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -35.132732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.132732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.132732 (E_RNA) where: Base-Base interactions energy: -12.048 where: short stacking energy: -12.048 Base-Backbone interact. energy: -0.008 local terms energy: -23.077215 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -31.831418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.831418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.831418 (E_RNA) where: Base-Base interactions energy: -10.470 where: short stacking energy: -10.470 Base-Backbone interact. energy: -0.052 local terms energy: -21.309389 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -34.214255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.214255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.214255 (E_RNA) where: Base-Base interactions energy: -11.715 where: short stacking energy: -11.715 Base-Backbone interact. energy: -0.014 local terms energy: -22.485303 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -1.725 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: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -29.399811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.399811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.399811 (E_RNA) where: Base-Base interactions energy: -11.089 where: short stacking energy: -11.089 Base-Backbone interact. energy: -0.011 local terms energy: -18.300580 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -1.933 flat angles P-C4'-P energy: -1.376 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -25.658364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.658364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.658364 (E_RNA) where: Base-Base interactions energy: -6.808 where: short stacking energy: -4.048 Base-Backbone interact. energy: -0.004 local terms energy: -18.846366 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.085 flat angles P-C4'-P energy: -4.773 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: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -40.508423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.508423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.508423 (E_RNA) where: Base-Base interactions energy: -17.405 where: short stacking energy: -17.505 Base-Backbone interact. energy: -0.013 local terms energy: -23.089634 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.595 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: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -40.095559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.095559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.095559 (E_RNA) where: Base-Base interactions energy: -19.377 where: short stacking energy: -19.377 Base-Backbone interact. energy: -0.000 local terms energy: -20.718374 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -35.342934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.342934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.342934 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.004 local terms energy: -23.105060 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -33.218305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.218305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.218305 (E_RNA) where: Base-Base interactions energy: -8.589 where: short stacking energy: -8.589 Base-Backbone interact. energy: 0.097 local terms energy: -24.726452 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -37.498375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.498375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.498375 (E_RNA) where: Base-Base interactions energy: -13.947 where: short stacking energy: -13.947 Base-Backbone interact. energy: -0.002 local terms energy: -23.549909 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -30.116162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116162 (E_RNA) where: Base-Base interactions energy: -9.423 where: short stacking energy: -9.423 Base-Backbone interact. energy: -0.006 local terms energy: -20.687648 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -2.203 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -28.366048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.366048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.366048 (E_RNA) where: Base-Base interactions energy: -7.968 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.103 local terms energy: -20.294770 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: 0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -36.512474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.512474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.512474 (E_RNA) where: Base-Base interactions energy: -13.707 where: short stacking energy: -13.872 Base-Backbone interact. energy: -0.003 local terms energy: -22.802171 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -32.635047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.635047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.635047 (E_RNA) where: Base-Base interactions energy: -13.794 where: short stacking energy: -13.794 Base-Backbone interact. energy: -0.003 local terms energy: -18.837616 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -1.458 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -30.846055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.846055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.846055 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.132 local terms energy: -20.796425 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: 0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -40.835149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.835149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.835149 (E_RNA) where: Base-Base interactions energy: -15.478 where: short stacking energy: -15.478 Base-Backbone interact. energy: -0.000 local terms energy: -25.357146 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -4.664 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: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -38.993818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.993818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.993818 (E_RNA) where: Base-Base interactions energy: -13.723 where: short stacking energy: -13.723 Base-Backbone interact. energy: -0.000 local terms energy: -25.270959 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -3.891 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: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -41.392794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.392794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.392794 (E_RNA) where: Base-Base interactions energy: -15.990 where: short stacking energy: -15.990 Base-Backbone interact. energy: -0.000 local terms energy: -25.402302 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.483 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: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -31.673677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.673677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.673677 (E_RNA) where: Base-Base interactions energy: -10.138 where: short stacking energy: -10.138 Base-Backbone interact. energy: -0.123 local terms energy: -21.411938 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.864 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: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -37.613033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.613033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.613033 (E_RNA) where: Base-Base interactions energy: -14.798 where: short stacking energy: -14.798 Base-Backbone interact. energy: -0.000 local terms energy: -22.814809 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -2.690 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: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -36.684620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.684620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.684620 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.011 local terms energy: -23.960788 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -37.493280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.493280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.493280 (E_RNA) where: Base-Base interactions energy: -16.363 where: short stacking energy: -16.363 Base-Backbone interact. energy: -0.005 local terms energy: -21.125970 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.723 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: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -33.699030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.699030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.699030 (E_RNA) where: Base-Base interactions energy: -12.342 where: short stacking energy: -12.342 Base-Backbone interact. energy: -0.006 local terms energy: -21.351355 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -4.332 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -30.233591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.233591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.233591 (E_RNA) where: Base-Base interactions energy: -9.407 where: short stacking energy: -9.407 Base-Backbone interact. energy: -0.003 local terms energy: -20.822663 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.962 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: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -30.426343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.426343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.426343 (E_RNA) where: Base-Base interactions energy: -7.928 where: short stacking energy: -7.928 Base-Backbone interact. energy: -0.000 local terms energy: -22.498105 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -2.787 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: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -39.658841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.658841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.658841 (E_RNA) where: Base-Base interactions energy: -12.409 where: short stacking energy: -12.409 Base-Backbone interact. energy: -1.181 local terms energy: -26.069024 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -5.140 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: 2, replica: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -37.743939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.743939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.743939 (E_RNA) where: Base-Base interactions energy: -14.825 where: short stacking energy: -14.825 Base-Backbone interact. energy: -0.000 local terms energy: -22.919054 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -5.034 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: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -39.369816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.369816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.369816 (E_RNA) where: Base-Base interactions energy: -14.766 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.090 local terms energy: -24.513507 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -3.171 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: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -37.472192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472192 (E_RNA) where: Base-Base interactions energy: -15.802 where: short stacking energy: -15.802 Base-Backbone interact. energy: -0.002 local terms energy: -21.668696 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -34.403729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403729 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.097 local terms energy: -22.538893 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -37.380766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.380766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.380766 (E_RNA) where: Base-Base interactions energy: -12.778 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.000 local terms energy: -24.603087 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -3.243 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: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -30.320992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.320992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.320992 (E_RNA) where: Base-Base interactions energy: -9.668 where: short stacking energy: -9.668 Base-Backbone interact. energy: -0.004 local terms energy: -20.649294 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -3.786 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: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -29.460128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.460128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.460128 (E_RNA) where: Base-Base interactions energy: -11.667 where: short stacking energy: -11.667 Base-Backbone interact. energy: 0.187 local terms energy: -17.980962 where: bonds (distance) C4'-P energy: -0.334 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.221 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: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -30.242556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.242556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.242556 (E_RNA) where: Base-Base interactions energy: -8.220 where: short stacking energy: -8.220 Base-Backbone interact. energy: -0.915 local terms energy: -21.107555 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -2.632 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -28.127465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.127465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.127465 (E_RNA) where: Base-Base interactions energy: -9.522 where: short stacking energy: -9.522 Base-Backbone interact. energy: -0.079 local terms energy: -18.525744 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -36.066255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.066255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.066255 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.010 local terms energy: -25.964106 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.656 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: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -35.108515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.108515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.108515 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.034 local terms energy: -25.755165 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -34.907799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907799 (E_RNA) where: Base-Base interactions energy: -12.107 where: short stacking energy: -12.107 Base-Backbone interact. energy: -0.002 local terms energy: -22.798432 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -2.109 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: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -36.322857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.322857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.322857 (E_RNA) where: Base-Base interactions energy: -13.772 where: short stacking energy: -13.772 Base-Backbone interact. energy: 0.222 local terms energy: -22.772900 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -37.489729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.489729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.489729 (E_RNA) where: Base-Base interactions energy: -17.502 where: short stacking energy: -17.502 Base-Backbone interact. energy: -0.001 local terms energy: -19.986700 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -2.698 flat angles P-C4'-P energy: -3.981 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: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -34.100582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.100582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.100582 (E_RNA) where: Base-Base interactions energy: -13.263 where: short stacking energy: -13.263 Base-Backbone interact. energy: -0.023 local terms energy: -20.813803 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -31.553854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.553854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.553854 (E_RNA) where: Base-Base interactions energy: -10.859 where: short stacking energy: -10.859 Base-Backbone interact. energy: 0.451 local terms energy: -21.145222 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: 0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -34.456599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.456599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.456599 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.062 local terms energy: -22.951028 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -31.377237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.377237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.377237 (E_RNA) where: Base-Base interactions energy: -6.788 where: short stacking energy: -6.788 Base-Backbone interact. energy: -0.000 local terms energy: -24.589343 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -28.818186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.818186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.818186 (E_RNA) where: Base-Base interactions energy: -8.267 where: short stacking energy: -8.267 Base-Backbone interact. energy: -0.003 local terms energy: -20.549012 where: bonds (distance) C4'-P energy: -3.249 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -37.870143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.870143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.870143 (E_RNA) where: Base-Base interactions energy: -13.506 where: short stacking energy: -13.506 Base-Backbone interact. energy: -0.000 local terms energy: -24.364224 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -35.666024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.666024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.666024 (E_RNA) where: Base-Base interactions energy: -9.782 where: short stacking energy: -9.782 Base-Backbone interact. energy: -0.941 local terms energy: -24.942750 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -36.268235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.268235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.268235 (E_RNA) where: Base-Base interactions energy: -8.572 where: short stacking energy: -8.572 Base-Backbone interact. energy: -0.005 local terms energy: -27.691298 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -5.724 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: 439 Temperature: 1.050000 Total energy: -31.548553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.548553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.548553 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.129 local terms energy: -20.488404 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -34.863263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.863263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.863263 (E_RNA) where: Base-Base interactions energy: -13.924 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.006 local terms energy: -20.934117 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -31.754020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.754020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.754020 (E_RNA) where: Base-Base interactions energy: -13.583 where: short stacking energy: -13.583 Base-Backbone interact. energy: -0.002 local terms energy: -18.168544 where: bonds (distance) C4'-P energy: -1.842 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -1.321 flat angles P-C4'-P energy: -3.919 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: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -34.777721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.777721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.777721 (E_RNA) where: Base-Base interactions energy: -12.096 where: short stacking energy: -12.096 Base-Backbone interact. energy: -0.008 local terms energy: -22.673991 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -39.490963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.490963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.490963 (E_RNA) where: Base-Base interactions energy: -16.684 where: short stacking energy: -16.684 Base-Backbone interact. energy: -0.000 local terms energy: -22.806806 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -5.496 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: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -34.319574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.319574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.319574 (E_RNA) where: Base-Base interactions energy: -9.915 where: short stacking energy: -9.915 Base-Backbone interact. energy: -0.321 local terms energy: -24.083493 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -3.837 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: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -27.619538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.619538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.619538 (E_RNA) where: Base-Base interactions energy: -8.639 where: short stacking energy: -9.422 Base-Backbone interact. energy: -0.001 local terms energy: -18.979846 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.382 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -41.158339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.158339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.158339 (E_RNA) where: Base-Base interactions energy: -14.469 where: short stacking energy: -14.469 Base-Backbone interact. energy: -0.003 local terms energy: -26.686185 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.972 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: 2, replica: 3 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -42.279514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.279514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.279514 (E_RNA) where: Base-Base interactions energy: -18.847 where: short stacking energy: -16.642 Base-Backbone interact. energy: -0.010 local terms energy: -23.422642 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -34.256447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.256447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.256447 (E_RNA) where: Base-Base interactions energy: -10.274 where: short stacking energy: -10.274 Base-Backbone interact. energy: -0.006 local terms energy: -23.976779 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -37.279160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.279160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.279160 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -13.843 Base-Backbone interact. energy: -0.000 local terms energy: -23.435796 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.027 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -4.007 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: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -36.254431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.254431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.254431 (E_RNA) where: Base-Base interactions energy: -14.304 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.035 local terms energy: -21.914798 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -4.489 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: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -33.137764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.137764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.137764 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.047 local terms energy: -18.886091 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.364 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -3.066 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: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -30.183385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.183385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.183385 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.003 local terms energy: -17.745935 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -1.110 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: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -32.689589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.689589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.689589 (E_RNA) where: Base-Base interactions energy: -10.442 where: short stacking energy: -10.442 Base-Backbone interact. energy: -0.017 local terms energy: -22.230550 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -34.818002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.818002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.818002 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.054 local terms energy: -22.449188 where: bonds (distance) C4'-P energy: -4.406 bonds (distance) P-C4' energy: -4.800 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -5.371 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: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -29.486429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.486429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.486429 (E_RNA) where: Base-Base interactions energy: -7.235 where: short stacking energy: -7.235 Base-Backbone interact. energy: -0.005 local terms energy: -22.246920 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.571 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: 1, replica: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -41.750516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.750516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.750516 (E_RNA) where: Base-Base interactions energy: -12.870 where: short stacking energy: -12.870 Base-Backbone interact. energy: -0.000 local terms energy: -28.880874 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -38.952465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.952465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.952465 (E_RNA) where: Base-Base interactions energy: -13.094 where: short stacking energy: -13.094 Base-Backbone interact. energy: -0.000 local terms energy: -25.858853 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.434 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: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -36.393300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.393300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.393300 (E_RNA) where: Base-Base interactions energy: -13.928 where: short stacking energy: -13.928 Base-Backbone interact. energy: -0.007 local terms energy: -22.457922 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -35.630784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.630784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.630784 (E_RNA) where: Base-Base interactions energy: -14.832 where: short stacking energy: -14.832 Base-Backbone interact. energy: -0.143 local terms energy: -20.656130 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -0.617 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -31.921114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.921114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.921114 (E_RNA) where: Base-Base interactions energy: -11.277 where: short stacking energy: -11.809 Base-Backbone interact. energy: -0.000 local terms energy: -20.644203 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -3.874 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -1.304 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -33.922225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.922225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.922225 (E_RNA) where: Base-Base interactions energy: -12.034 where: short stacking energy: -12.034 Base-Backbone interact. energy: -0.000 local terms energy: -21.888688 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -5.327 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: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -31.219875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.219875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.219875 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.099 local terms energy: -20.914824 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -35.478276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.478276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.478276 (E_RNA) where: Base-Base interactions energy: -11.693 where: short stacking energy: -11.693 Base-Backbone interact. energy: -0.000 local terms energy: -23.785318 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -3.207 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: 9, replica: 5 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -30.619364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.619364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.619364 (E_RNA) where: Base-Base interactions energy: -9.155 where: short stacking energy: -9.155 Base-Backbone interact. energy: -0.107 local terms energy: -21.356983 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -1.337 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -32.714915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.714915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.714915 (E_RNA) where: Base-Base interactions energy: -11.471 where: short stacking energy: -11.471 Base-Backbone interact. energy: -0.007 local terms energy: -21.236298 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -4.203 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: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -37.923045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.923045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.923045 (E_RNA) where: Base-Base interactions energy: -16.873 where: short stacking energy: -16.873 Base-Backbone interact. energy: -0.050 local terms energy: -20.999167 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.080 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: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -40.542050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.542050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.542050 (E_RNA) where: Base-Base interactions energy: -14.353 where: short stacking energy: -14.353 Base-Backbone interact. energy: -0.000 local terms energy: -26.189112 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -35.220366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.220366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.220366 (E_RNA) where: Base-Base interactions energy: -12.557 where: short stacking energy: -12.557 Base-Backbone interact. energy: -0.050 local terms energy: -22.613530 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -2.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -32.195601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.195601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.195601 (E_RNA) where: Base-Base interactions energy: -10.026 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.090 local terms energy: -22.078911 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.864 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: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -32.493689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.493689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.493689 (E_RNA) where: Base-Base interactions energy: -11.833 where: short stacking energy: -11.833 Base-Backbone interact. energy: -0.000 local terms energy: -20.659938 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -33.630428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.630428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.630428 (E_RNA) where: Base-Base interactions energy: -9.438 where: short stacking energy: -9.438 Base-Backbone interact. energy: -0.000 local terms energy: -24.192433 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -34.431023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.431023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.431023 (E_RNA) where: Base-Base interactions energy: -14.174 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.000 local terms energy: -20.257265 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.004 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: 8, replica: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -32.773209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.773209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.773209 (E_RNA) where: Base-Base interactions energy: -8.664 where: short stacking energy: -8.664 Base-Backbone interact. energy: -0.005 local terms energy: -24.104270 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.256 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: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -30.289803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.289803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.289803 (E_RNA) where: Base-Base interactions energy: -9.070 where: short stacking energy: -9.425 Base-Backbone interact. energy: -0.000 local terms energy: -21.219661 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -2.324 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -29.648917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.648917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.648917 (E_RNA) where: Base-Base interactions energy: -9.521 where: short stacking energy: -9.521 Base-Backbone interact. energy: -0.031 local terms energy: -20.096238 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -39.404576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.404576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.404576 (E_RNA) where: Base-Base interactions energy: -13.772 where: short stacking energy: -13.772 Base-Backbone interact. energy: -0.000 local terms energy: -25.632602 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -33.507446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.507446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.507446 (E_RNA) where: Base-Base interactions energy: -8.914 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.008 local terms energy: -24.586199 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -2.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -38.118399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.118399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.118399 (E_RNA) where: Base-Base interactions energy: -14.819 where: short stacking energy: -14.819 Base-Backbone interact. energy: -0.079 local terms energy: -23.220251 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.503 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: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -30.899372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.899372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.899372 (E_RNA) where: Base-Base interactions energy: -6.530 where: short stacking energy: -6.530 Base-Backbone interact. energy: -0.007 local terms energy: -24.362900 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -4.154 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: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -37.739121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.739121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.739121 (E_RNA) where: Base-Base interactions energy: -15.986 where: short stacking energy: -15.986 Base-Backbone interact. energy: -0.000 local terms energy: -21.753304 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -38.869618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.869618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.869618 (E_RNA) where: Base-Base interactions energy: -13.343 where: short stacking energy: -13.343 Base-Backbone interact. energy: -0.002 local terms energy: -25.524044 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.948 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: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -32.042006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.042006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.042006 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.000 local terms energy: -24.586868 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.432 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: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -31.591631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.591631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.591631 (E_RNA) where: Base-Base interactions energy: -7.614 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.000 local terms energy: -23.977359 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -29.534659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.534659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.534659 (E_RNA) where: Base-Base interactions energy: -8.259 where: short stacking energy: -8.259 Base-Backbone interact. energy: -0.012 local terms energy: -21.263425 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -4.310 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: 5 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -29.315914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.315914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.315914 (E_RNA) where: Base-Base interactions energy: -8.534 where: short stacking energy: -8.534 Base-Backbone interact. energy: -0.004 local terms energy: -20.778246 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -0.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -39.390875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.390875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.390875 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -12.504 Base-Backbone interact. energy: -0.013 local terms energy: -26.873630 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -39.146748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.146748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.146748 (E_RNA) where: Base-Base interactions energy: -15.130 where: short stacking energy: -15.130 Base-Backbone interact. energy: -0.000 local terms energy: -24.016426 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -34.869016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.869016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.869016 (E_RNA) where: Base-Base interactions energy: -11.585 where: short stacking energy: -11.585 Base-Backbone interact. energy: -0.001 local terms energy: -23.283122 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -4.640 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: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -33.856537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.856537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.856537 (E_RNA) where: Base-Base interactions energy: -11.086 where: short stacking energy: -11.086 Base-Backbone interact. energy: -0.003 local terms energy: -22.767760 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.488 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: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -35.824026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.824026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.824026 (E_RNA) where: Base-Base interactions energy: -13.145 where: short stacking energy: -13.145 Base-Backbone interact. energy: -0.030 local terms energy: -22.648720 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -4.933 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: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -30.719997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.719997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.719997 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.000 local terms energy: -20.546548 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -33.352785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.352785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.352785 (E_RNA) where: Base-Base interactions energy: -11.394 where: short stacking energy: -11.394 Base-Backbone interact. energy: -0.000 local terms energy: -21.958734 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -27.692274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.692274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.692274 (E_RNA) where: Base-Base interactions energy: -3.633 where: short stacking energy: -3.633 Base-Backbone interact. energy: -0.011 local terms energy: -24.048719 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.646 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: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -31.711457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.711457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.711457 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.000 local terms energy: -22.252818 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -2.811 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -32.835797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.835797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.835797 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -10.041 Base-Backbone interact. energy: 0.141 local terms energy: -22.935433 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.986 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: 1, replica: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -44.132173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.132173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.132173 (E_RNA) where: Base-Base interactions energy: -18.166 where: short stacking energy: -18.166 Base-Backbone interact. energy: -0.001 local terms energy: -25.965372 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.012 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: 445 Temperature: 0.950000 Total energy: -38.974118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.974118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.974118 (E_RNA) where: Base-Base interactions energy: -16.440 where: short stacking energy: -16.440 Base-Backbone interact. energy: -0.001 local terms energy: -22.533055 where: bonds (distance) C4'-P energy: -2.563 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -4.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -39.066828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.066828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.066828 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.051 local terms energy: -25.020886 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -3.576 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: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -36.550259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.550259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.550259 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.011 local terms energy: -22.639867 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -3.709 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -5.076 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: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -36.527691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.527691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.527691 (E_RNA) where: Base-Base interactions energy: -13.168 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.000 local terms energy: -23.359739 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -31.189026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.189026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.189026 (E_RNA) where: Base-Base interactions energy: -11.856 where: short stacking energy: -11.856 Base-Backbone interact. energy: -0.004 local terms energy: -19.328333 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.922 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: 7, replica: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -31.452248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.452248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.452248 (E_RNA) where: Base-Base interactions energy: -8.369 where: short stacking energy: -8.369 Base-Backbone interact. energy: -0.000 local terms energy: -23.083228 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -3.172 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: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -30.665437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.665437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.665437 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: 0.120 local terms energy: -22.313358 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -29.814505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.814505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.814505 (E_RNA) where: Base-Base interactions energy: -11.009 where: short stacking energy: -11.009 Base-Backbone interact. energy: -0.004 local terms energy: -18.801802 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.055 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -25.320232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.320232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.320232 (E_RNA) where: Base-Base interactions energy: -4.168 where: short stacking energy: -4.168 Base-Backbone interact. energy: -0.018 local terms energy: -21.135115 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -37.809511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.809511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.809511 (E_RNA) where: Base-Base interactions energy: -14.206 where: short stacking energy: -14.206 Base-Backbone interact. energy: -0.000 local terms energy: -23.603713 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -3.513 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: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -42.334337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.334337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.334337 (E_RNA) where: Base-Base interactions energy: -15.652 where: short stacking energy: -15.652 Base-Backbone interact. energy: -0.000 local terms energy: -26.682282 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -5.386 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: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -37.569172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.569172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.569172 (E_RNA) where: Base-Base interactions energy: -16.165 where: short stacking energy: -16.165 Base-Backbone interact. energy: 0.400 local terms energy: -21.804204 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: 0.654 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: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -40.872083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.872083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.872083 (E_RNA) where: Base-Base interactions energy: -14.783 where: short stacking energy: -14.783 Base-Backbone interact. energy: -0.000 local terms energy: -26.088813 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.517 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: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -36.640813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.640813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.640813 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -12.878 Base-Backbone interact. energy: -0.000 local terms energy: -23.761913 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -34.185953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.185953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.185953 (E_RNA) where: Base-Base interactions energy: -9.833 where: short stacking energy: -9.833 Base-Backbone interact. energy: -0.066 local terms energy: -24.287454 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.175 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: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -29.636651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.636651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.636651 (E_RNA) where: Base-Base interactions energy: -10.850 where: short stacking energy: -10.850 Base-Backbone interact. energy: -0.002 local terms energy: -18.784426 where: bonds (distance) C4'-P energy: -2.906 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.739 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: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -30.468612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.468612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.468612 (E_RNA) where: Base-Base interactions energy: -9.313 where: short stacking energy: -9.313 Base-Backbone interact. energy: -0.000 local terms energy: -21.155202 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -3.511 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.000 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: 9, replica: 9 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -30.296418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.296418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.296418 (E_RNA) where: Base-Base interactions energy: -10.695 where: short stacking energy: -10.695 Base-Backbone interact. energy: -0.120 local terms energy: -19.481629 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -2.853 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: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -27.838698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.838698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.838698 (E_RNA) where: Base-Base interactions energy: -9.311 where: short stacking energy: -9.311 Base-Backbone interact. energy: -0.005 local terms energy: -18.522746 where: bonds (distance) C4'-P energy: -3.199 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -37.300761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.300761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.300761 (E_RNA) where: Base-Base interactions energy: -13.562 where: short stacking energy: -13.562 Base-Backbone interact. energy: -0.168 local terms energy: -23.570402 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -37.491947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.491947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.491947 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.001 local terms energy: -26.544362 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -36.024142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.024142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.024142 (E_RNA) where: Base-Base interactions energy: -12.665 where: short stacking energy: -12.665 Base-Backbone interact. energy: -0.005 local terms energy: -23.353827 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -4.034 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: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -38.234666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.234666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.234666 (E_RNA) where: Base-Base interactions energy: -12.952 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.000 local terms energy: -25.282152 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -34.050526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.050526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.050526 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.008 local terms energy: -22.288963 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -30.416276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.416276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.416276 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: -0.104 local terms energy: -21.177825 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -36.565750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565750 (E_RNA) where: Base-Base interactions energy: -13.068 where: short stacking energy: -13.068 Base-Backbone interact. energy: -0.032 local terms energy: -23.465227 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -3.999 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: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -29.358004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.358004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.358004 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.951 Base-Backbone interact. energy: -0.017 local terms energy: -20.389837 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -2.205 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: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -29.471297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.471297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.471297 (E_RNA) where: Base-Base interactions energy: -6.549 where: short stacking energy: -6.549 Base-Backbone interact. energy: -0.001 local terms energy: -22.921224 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -1.795 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: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -32.842333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.842333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.842333 (E_RNA) where: Base-Base interactions energy: -13.682 where: short stacking energy: -13.682 Base-Backbone interact. energy: 2.894 local terms energy: -22.054786 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.048 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: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -42.692529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.692529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.692529 (E_RNA) where: Base-Base interactions energy: -17.600 where: short stacking energy: -17.600 Base-Backbone interact. energy: -0.009 local terms energy: -25.083929 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -5.004 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: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -32.984754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984754 (E_RNA) where: Base-Base interactions energy: -10.554 where: short stacking energy: -10.554 Base-Backbone interact. energy: -0.005 local terms energy: -22.425914 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -43.791219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.791219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.791219 (E_RNA) where: Base-Base interactions energy: -16.893 where: short stacking energy: -16.893 Base-Backbone interact. energy: -0.000 local terms energy: -26.898592 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -35.213497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.213497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.213497 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.000 local terms energy: -23.290556 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -27.105270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.105270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.105270 (E_RNA) where: Base-Base interactions energy: -7.117 where: short stacking energy: -7.117 Base-Backbone interact. energy: -0.000 local terms energy: -19.988634 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.656 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: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -32.696998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.696998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.696998 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.007 local terms energy: -20.980787 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.349 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -1.892 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: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -36.785710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.785710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.785710 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.007 local terms energy: -24.720303 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -29.605425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.605425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.605425 (E_RNA) where: Base-Base interactions energy: -8.446 where: short stacking energy: -8.446 Base-Backbone interact. energy: -0.099 local terms energy: -21.060277 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.001 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -1.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -31.002569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.002569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.002569 (E_RNA) where: Base-Base interactions energy: -11.397 where: short stacking energy: -11.397 Base-Backbone interact. energy: -0.000 local terms energy: -19.605094 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -31.230328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.230328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.230328 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.777 Base-Backbone interact. energy: -0.000 local terms energy: -23.453448 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -4.282 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: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -41.776358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.776358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.776358 (E_RNA) where: Base-Base interactions energy: -16.089 where: short stacking energy: -16.089 Base-Backbone interact. energy: -0.000 local terms energy: -25.686981 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -4.877 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: 449 Temperature: 0.950000 Total energy: -40.561924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.561924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.561924 (E_RNA) where: Base-Base interactions energy: -13.414 where: short stacking energy: -13.414 Base-Backbone interact. energy: -0.003 local terms energy: -27.145081 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -36.345793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.345793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.345793 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.000 local terms energy: -23.909384 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -3.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -31.690909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.690909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.690909 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.358 local terms energy: -23.448768 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -36.746514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.746514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.746514 (E_RNA) where: Base-Base interactions energy: -12.498 where: short stacking energy: -12.498 Base-Backbone interact. energy: -0.000 local terms energy: -24.248616 where: bonds (distance) C4'-P energy: -3.642 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -3.702 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: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -35.814414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.814414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.814414 (E_RNA) where: Base-Base interactions energy: -12.349 where: short stacking energy: -12.349 Base-Backbone interact. energy: -0.096 local terms energy: -23.369046 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.602 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: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -29.752061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.752061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.752061 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.093 local terms energy: -21.296650 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -34.945878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945878 (E_RNA) where: Base-Base interactions energy: -14.799 where: short stacking energy: -14.799 Base-Backbone interact. energy: -0.000 local terms energy: -20.146375 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -33.612171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.612171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.612171 (E_RNA) where: Base-Base interactions energy: -11.083 where: short stacking energy: -11.083 Base-Backbone interact. energy: -0.000 local terms energy: -22.528798 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -30.721905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721905 (E_RNA) where: Base-Base interactions energy: -8.649 where: short stacking energy: -9.169 Base-Backbone interact. energy: -0.001 local terms energy: -22.071561 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -2.166 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: 1, replica: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -38.512868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.512868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.512868 (E_RNA) where: Base-Base interactions energy: -13.310 where: short stacking energy: -13.310 Base-Backbone interact. energy: -0.000 local terms energy: -25.202571 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -44.792341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.792341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.792341 (E_RNA) where: Base-Base interactions energy: -18.078 where: short stacking energy: -18.078 Base-Backbone interact. energy: -0.001 local terms energy: -26.713825 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -33.362331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.362331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.362331 (E_RNA) where: Base-Base interactions energy: -11.625 where: short stacking energy: -11.625 Base-Backbone interact. energy: -0.000 local terms energy: -21.736795 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -2.143 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: 4, replica: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -35.485514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.485514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.485514 (E_RNA) where: Base-Base interactions energy: -13.656 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.102 local terms energy: -21.727049 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -29.852069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.852069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.852069 (E_RNA) where: Base-Base interactions energy: -9.458 where: short stacking energy: -9.458 Base-Backbone interact. energy: -0.113 local terms energy: -20.281328 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -2.985 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: 6, replica: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -36.458150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.458150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.458150 (E_RNA) where: Base-Base interactions energy: -12.416 where: short stacking energy: -12.416 Base-Backbone interact. energy: -0.000 local terms energy: -24.041548 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -1.579 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: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -31.282980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.282980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.282980 (E_RNA) where: Base-Base interactions energy: -7.963 where: short stacking energy: -7.963 Base-Backbone interact. energy: -0.004 local terms energy: -23.315705 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -31.405067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405067 (E_RNA) where: Base-Base interactions energy: -8.711 where: short stacking energy: -8.711 Base-Backbone interact. energy: -0.002 local terms energy: -22.692762 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -29.738225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.738225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.738225 (E_RNA) where: Base-Base interactions energy: -9.747 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.618 local terms energy: -19.373568 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: 0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -31.412630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.412630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.412630 (E_RNA) where: Base-Base interactions energy: -12.773 where: short stacking energy: -12.773 Base-Backbone interact. energy: -0.017 local terms energy: -18.622487 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -3.247 flat angles C4'-P-C4' energy: -2.905 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -41.196454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.196454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.196454 (E_RNA) where: Base-Base interactions energy: -17.366 where: short stacking energy: -17.366 Base-Backbone interact. energy: -0.007 local terms energy: -23.822985 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -2.931 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: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -41.552867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.552867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.552867 (E_RNA) where: Base-Base interactions energy: -14.688 where: short stacking energy: -14.688 Base-Backbone interact. energy: -0.000 local terms energy: -26.864416 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -37.675252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.675252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.675252 (E_RNA) where: Base-Base interactions energy: -14.359 where: short stacking energy: -14.359 Base-Backbone interact. energy: -0.005 local terms energy: -23.311487 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -36.997414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.997414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.997414 (E_RNA) where: Base-Base interactions energy: -12.461 where: short stacking energy: -12.461 Base-Backbone interact. energy: -0.038 local terms energy: -24.498667 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -31.667768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667768 (E_RNA) where: Base-Base interactions energy: -13.057 where: short stacking energy: -13.057 Base-Backbone interact. energy: -0.000 local terms energy: -18.609932 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.324 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -2.720 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: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -30.891923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.891923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.891923 (E_RNA) where: Base-Base interactions energy: -13.465 where: short stacking energy: -13.465 Base-Backbone interact. energy: -0.000 local terms energy: -17.426904 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -0.809 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -32.617180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.617180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.617180 (E_RNA) where: Base-Base interactions energy: -10.762 where: short stacking energy: -10.762 Base-Backbone interact. energy: -0.002 local terms energy: -21.852844 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -33.080546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.080546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.080546 (E_RNA) where: Base-Base interactions energy: -11.005 where: short stacking energy: -11.005 Base-Backbone interact. energy: -0.001 local terms energy: -22.073662 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -1.646 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -31.178751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.178751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.178751 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.085 local terms energy: -24.475575 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -32.333014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.333014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.333014 (E_RNA) where: Base-Base interactions energy: -14.187 where: short stacking energy: -14.187 Base-Backbone interact. energy: -0.038 local terms energy: -18.107631 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -0.735 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: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -39.297954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.297954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.297954 (E_RNA) where: Base-Base interactions energy: -14.557 where: short stacking energy: -14.557 Base-Backbone interact. energy: 0.084 local terms energy: -24.824504 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -4.506 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: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -37.583104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.583104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.583104 (E_RNA) where: Base-Base interactions energy: -14.530 where: short stacking energy: -14.530 Base-Backbone interact. energy: -0.079 local terms energy: -22.974185 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -34.556871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.556871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.556871 (E_RNA) where: Base-Base interactions energy: -13.367 where: short stacking energy: -13.367 Base-Backbone interact. energy: -0.000 local terms energy: -21.190137 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -1.794 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: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -39.823445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.823445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.823445 (E_RNA) where: Base-Base interactions energy: -15.779 where: short stacking energy: -15.779 Base-Backbone interact. energy: -0.000 local terms energy: -24.044596 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -37.596242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.596242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.596242 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.001 local terms energy: -24.249716 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -3.934 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: 6, replica: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -34.168830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.168830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.168830 (E_RNA) where: Base-Base interactions energy: -11.990 where: short stacking energy: -11.990 Base-Backbone interact. energy: -0.000 local terms energy: -22.178999 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -4.594 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: 7, replica: 3 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -31.671508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.671508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.671508 (E_RNA) where: Base-Base interactions energy: -10.620 where: short stacking energy: -10.620 Base-Backbone interact. energy: -0.010 local terms energy: -21.041320 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -37.179876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.179876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.179876 (E_RNA) where: Base-Base interactions energy: -12.057 where: short stacking energy: -12.557 Base-Backbone interact. energy: -0.137 local terms energy: -24.986249 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.715 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: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -30.311645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.311645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.311645 (E_RNA) where: Base-Base interactions energy: -9.092 where: short stacking energy: -9.092 Base-Backbone interact. energy: -0.101 local terms energy: -21.119015 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -3.887 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: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -29.427639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.427639 (E_RNA) where: Base-Base interactions energy: -5.613 where: short stacking energy: -5.613 Base-Backbone interact. energy: -0.048 local terms energy: -23.765771 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -5.088 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: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -38.213440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.213440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.213440 (E_RNA) where: Base-Base interactions energy: -15.547 where: short stacking energy: -15.547 Base-Backbone interact. energy: -0.099 local terms energy: -22.568110 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.529 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: 2, replica: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -36.783843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.783843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.783843 (E_RNA) where: Base-Base interactions energy: -13.804 where: short stacking energy: -13.804 Base-Backbone interact. energy: -0.000 local terms energy: -22.979299 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -36.859277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.859277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.859277 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.017 local terms energy: -23.339615 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -2.301 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -37.403917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.403917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.403917 (E_RNA) where: Base-Base interactions energy: -15.468 where: short stacking energy: -15.468 Base-Backbone interact. energy: -0.010 local terms energy: -21.926025 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -37.085974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.085974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.085974 (E_RNA) where: Base-Base interactions energy: -13.692 where: short stacking energy: -13.692 Base-Backbone interact. energy: -0.000 local terms energy: -23.394243 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -33.262133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.262133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.262133 (E_RNA) where: Base-Base interactions energy: -10.424 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.082 local terms energy: -22.756351 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.990 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: 7, replica: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -29.650031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.650031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.650031 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.085 local terms energy: -18.046413 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -1.944 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -32.477656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.477656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.477656 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: 0.270 local terms energy: -22.002723 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.044 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: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -28.696799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.696799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.696799 (E_RNA) where: Base-Base interactions energy: -8.586 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.028 local terms energy: -20.082401 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -2.850 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: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -31.835082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.835082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.835082 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.000 local terms energy: -23.162209 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -37.357096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.357096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.357096 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.004 local terms energy: -23.862703 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.337 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: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -35.844960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.844960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.844960 (E_RNA) where: Base-Base interactions energy: -11.874 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.041 local terms energy: -23.930280 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -4.074 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: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -38.696585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.696585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.696585 (E_RNA) where: Base-Base interactions energy: -15.832 where: short stacking energy: -15.832 Base-Backbone interact. energy: -0.000 local terms energy: -22.864818 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -38.473661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.473661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.473661 (E_RNA) where: Base-Base interactions energy: -16.855 where: short stacking energy: -16.855 Base-Backbone interact. energy: -0.000 local terms energy: -21.618686 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -0.945 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: 5, replica: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -37.520034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.520034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.520034 (E_RNA) where: Base-Base interactions energy: -17.290 where: short stacking energy: -17.290 Base-Backbone interact. energy: -0.007 local terms energy: -20.223056 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -3.861 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -37.648585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.648585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.648585 (E_RNA) where: Base-Base interactions energy: -13.386 where: short stacking energy: -13.386 Base-Backbone interact. energy: -0.000 local terms energy: -24.262171 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -30.519085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.519085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.519085 (E_RNA) where: Base-Base interactions energy: -12.598 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.007 local terms energy: -17.913604 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -1.703 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -3.986 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: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -29.097407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.097407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.097407 (E_RNA) where: Base-Base interactions energy: -8.784 where: short stacking energy: -8.784 Base-Backbone interact. energy: -0.075 local terms energy: -20.239001 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: 1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -27.840854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.840854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.840854 (E_RNA) where: Base-Base interactions energy: -9.303 where: short stacking energy: -9.303 Base-Backbone interact. energy: -0.002 local terms energy: -18.535903 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -2.022 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -26.853713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.853713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.853713 (E_RNA) where: Base-Base interactions energy: -7.170 where: short stacking energy: -4.872 Base-Backbone interact. energy: -0.065 local terms energy: -19.619281 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.800 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -39.964932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.964932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.964932 (E_RNA) where: Base-Base interactions energy: -17.857 where: short stacking energy: -17.857 Base-Backbone interact. energy: -0.001 local terms energy: -22.107154 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -2.441 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -37.606605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.606605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.606605 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.047 local terms energy: -23.475574 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -36.446398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.446398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.446398 (E_RNA) where: Base-Base interactions energy: -14.058 where: short stacking energy: -14.058 Base-Backbone interact. energy: -0.010 local terms energy: -22.379004 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -40.283815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.283815 (E_RNA) where: Base-Base interactions energy: -16.993 where: short stacking energy: -16.993 Base-Backbone interact. energy: -0.000 local terms energy: -23.290948 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -1.360 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -32.969706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.969706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.969706 (E_RNA) where: Base-Base interactions energy: -11.699 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.071 local terms energy: -21.199997 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.141 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -36.100159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.100159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.100159 (E_RNA) where: Base-Base interactions energy: -13.055 where: short stacking energy: -13.055 Base-Backbone interact. energy: -0.064 local terms energy: -22.981600 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -34.154944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.154944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.154944 (E_RNA) where: Base-Base interactions energy: -13.209 where: short stacking energy: -13.209 Base-Backbone interact. energy: -0.000 local terms energy: -20.945701 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -1.886 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -30.053446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.053446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.053446 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -0.000 local terms energy: -21.954203 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.427 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: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -34.151093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.151093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.151093 (E_RNA) where: Base-Base interactions energy: -14.886 where: short stacking energy: -12.923 Base-Backbone interact. energy: -0.003 local terms energy: -19.261195 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -1.383 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -35.625175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.625175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.625175 (E_RNA) where: Base-Base interactions energy: -12.731 where: short stacking energy: -12.731 Base-Backbone interact. energy: -0.002 local terms energy: -22.892056 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -39.439609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.439609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.439609 (E_RNA) where: Base-Base interactions energy: -16.889 where: short stacking energy: -16.889 Base-Backbone interact. energy: -0.000 local terms energy: -22.550436 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -1.776 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -37.211101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.211101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.211101 (E_RNA) where: Base-Base interactions energy: -13.652 where: short stacking energy: -13.836 Base-Backbone interact. energy: -0.067 local terms energy: -23.492289 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -39.814956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.814956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.814956 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.000 local terms energy: -28.202423 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -5.955 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: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -36.962211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.962211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.962211 (E_RNA) where: Base-Base interactions energy: -13.353 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.001 local terms energy: -23.608864 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -31.703740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.703740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.703740 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.006 local terms energy: -23.024460 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.440 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: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -30.040731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040731 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.033 local terms energy: -20.409843 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -25.635621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.635621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.635621 (E_RNA) where: Base-Base interactions energy: -7.292 where: short stacking energy: -6.086 Base-Backbone interact. energy: -0.019 local terms energy: -18.325462 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -28.599459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.599459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.599459 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -10.041 Base-Backbone interact. energy: -0.000 local terms energy: -18.558141 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: 1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -29.257965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.257965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.257965 (E_RNA) where: Base-Base interactions energy: -9.467 where: short stacking energy: -9.467 Base-Backbone interact. energy: -0.066 local terms energy: -19.724368 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -30.895174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.895174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.895174 (E_RNA) where: Base-Base interactions energy: -11.438 where: short stacking energy: -11.438 Base-Backbone interact. energy: -0.000 local terms energy: -19.457311 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -36.947390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.947390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.947390 (E_RNA) where: Base-Base interactions energy: -14.601 where: short stacking energy: -14.601 Base-Backbone interact. energy: -0.000 local terms energy: -22.345832 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -44.230292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.230292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.230292 (E_RNA) where: Base-Base interactions energy: -16.781 where: short stacking energy: -16.781 Base-Backbone interact. energy: -0.000 local terms energy: -27.448910 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -36.577150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.577150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.577150 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.025 local terms energy: -23.740807 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -6.276 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: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -38.876707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.876707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.876707 (E_RNA) where: Base-Base interactions energy: -18.051 where: short stacking energy: -18.051 Base-Backbone interact. energy: -0.003 local terms energy: -20.822967 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -4.714 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -35.883218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.883218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.883218 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.000 local terms energy: -21.747835 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.488 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -30.196541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.196541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.196541 (E_RNA) where: Base-Base interactions energy: -9.255 where: short stacking energy: -9.255 Base-Backbone interact. energy: -0.000 local terms energy: -20.941217 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -32.800285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.800285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.800285 (E_RNA) where: Base-Base interactions energy: -13.383 where: short stacking energy: -13.383 Base-Backbone interact. energy: 2.614 local terms energy: -22.031231 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.140 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -32.910195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.910195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.910195 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.015 local terms energy: -19.202248 where: bonds (distance) C4'-P energy: -3.005 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -2.903 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: 9, replica: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -31.979526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.979526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.979526 (E_RNA) where: Base-Base interactions energy: -9.186 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.010 local terms energy: -22.783460 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.651 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: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -30.018155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.018155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.018155 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.189 local terms energy: -20.624347 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -3.963 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: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -38.059718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.059718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.059718 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.079 local terms energy: -23.385179 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -41.835467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.835467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.835467 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -18.985 Base-Backbone interact. energy: -0.019 local terms energy: -22.831876 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -33.753017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.753017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.753017 (E_RNA) where: Base-Base interactions energy: -10.944 where: short stacking energy: -10.944 Base-Backbone interact. energy: -0.002 local terms energy: -22.807407 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.026 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: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -37.767351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.767351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.767351 (E_RNA) where: Base-Base interactions energy: -14.848 where: short stacking energy: -14.848 Base-Backbone interact. energy: -0.002 local terms energy: -22.917551 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -2.508 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: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -37.942361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.942361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.942361 (E_RNA) where: Base-Base interactions energy: -13.877 where: short stacking energy: -13.877 Base-Backbone interact. energy: -0.034 local terms energy: -24.031538 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -4.316 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: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -34.382253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.382253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.382253 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.093 local terms energy: -24.597740 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.217 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: 458 Temperature: 1.200000 Total energy: -33.242523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.242523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.242523 (E_RNA) where: Base-Base interactions energy: -10.914 where: short stacking energy: -10.914 Base-Backbone interact. energy: -0.001 local terms energy: -22.327574 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -32.927249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.927249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.927249 (E_RNA) where: Base-Base interactions energy: -9.877 where: short stacking energy: -9.877 Base-Backbone interact. energy: -0.033 local terms energy: -23.017774 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.815 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -26.856847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.856847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.856847 (E_RNA) where: Base-Base interactions energy: -5.157 where: short stacking energy: -5.157 Base-Backbone interact. energy: -0.164 local terms energy: -21.535933 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.389 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: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -28.462941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.462941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.462941 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -6.284 Base-Backbone interact. energy: -0.025 local terms energy: -20.726891 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -38.846893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.846893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.846893 (E_RNA) where: Base-Base interactions energy: -16.505 where: short stacking energy: -16.505 Base-Backbone interact. energy: -0.005 local terms energy: -22.337447 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -37.927924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.927924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.927924 (E_RNA) where: Base-Base interactions energy: -13.296 where: short stacking energy: -13.296 Base-Backbone interact. energy: -0.007 local terms energy: -24.624570 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -3.326 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: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -34.937539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.937539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.937539 (E_RNA) where: Base-Base interactions energy: -12.936 where: short stacking energy: -12.936 Base-Backbone interact. energy: -0.061 local terms energy: -21.940448 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -1.882 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: 4, replica: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -33.187154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.187154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.187154 (E_RNA) where: Base-Base interactions energy: -12.282 where: short stacking energy: -12.282 Base-Backbone interact. energy: 0.801 local terms energy: -21.706235 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.706 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: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -34.798043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798043 (E_RNA) where: Base-Base interactions energy: -13.568 where: short stacking energy: -13.568 Base-Backbone interact. energy: -0.047 local terms energy: -21.182328 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -4.360 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: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -35.743124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.743124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.743124 (E_RNA) where: Base-Base interactions energy: -12.833 where: short stacking energy: -12.833 Base-Backbone interact. energy: -0.003 local terms energy: -22.906967 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -34.546586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.546586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.546586 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.078 local terms energy: -26.011618 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -30.960296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.960296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.960296 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.132 local terms energy: -21.676635 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -3.980 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: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -35.190130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.190130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.190130 (E_RNA) where: Base-Base interactions energy: -10.162 where: short stacking energy: -10.162 Base-Backbone interact. energy: -0.030 local terms energy: -24.997607 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -29.015646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.015646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.015646 (E_RNA) where: Base-Base interactions energy: -8.756 where: short stacking energy: -8.756 Base-Backbone interact. energy: -0.002 local terms energy: -20.257290 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -36.899608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.899608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.899608 (E_RNA) where: Base-Base interactions energy: -13.646 where: short stacking energy: -13.646 Base-Backbone interact. energy: -0.066 local terms energy: -23.187647 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -0.438 tors. eta vs tors. theta energy: -5.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -35.734720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.734720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.734720 (E_RNA) where: Base-Base interactions energy: -14.994 where: short stacking energy: -14.994 Base-Backbone interact. energy: -0.014 local terms energy: -20.727394 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -4.271 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: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -40.903094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.903094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.903094 (E_RNA) where: Base-Base interactions energy: -18.181 where: short stacking energy: -18.181 Base-Backbone interact. energy: -0.001 local terms energy: -22.720912 where: bonds (distance) C4'-P energy: -1.291 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -5.666 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: 4, replica: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -32.820596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.820596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.820596 (E_RNA) where: Base-Base interactions energy: -9.976 where: short stacking energy: -9.976 Base-Backbone interact. energy: -0.003 local terms energy: -22.841481 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -35.061661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.061661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.061661 (E_RNA) where: Base-Base interactions energy: -12.657 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.033 local terms energy: -22.371725 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.875 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -35.803869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.803869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.803869 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.018 local terms energy: -23.590487 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -3.665 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: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -33.193882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.193882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.193882 (E_RNA) where: Base-Base interactions energy: -10.090 where: short stacking energy: -10.090 Base-Backbone interact. energy: -0.000 local terms energy: -23.103865 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -34.399879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.399879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.399879 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -9.952 Base-Backbone interact. energy: -0.074 local terms energy: -24.373209 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.065 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: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -31.069427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.069427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.069427 (E_RNA) where: Base-Base interactions energy: -9.652 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.000 local terms energy: -21.417142 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -1.002 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -28.860659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.860659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.860659 (E_RNA) where: Base-Base interactions energy: -7.826 where: short stacking energy: -7.826 Base-Backbone interact. energy: -0.063 local terms energy: -20.971477 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.863 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: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -42.112939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.112939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.112939 (E_RNA) where: Base-Base interactions energy: -17.411 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.020 local terms energy: -24.682169 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.388 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: 2, replica: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -39.227397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227397 (E_RNA) where: Base-Base interactions energy: -17.144 where: short stacking energy: -17.144 Base-Backbone interact. energy: -0.000 local terms energy: -22.083285 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -2.218 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: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -37.507257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.507257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.507257 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -14.281 Base-Backbone interact. energy: -0.000 local terms energy: -23.226049 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -4.952 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: 4, replica: 4 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -35.631413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.631413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.631413 (E_RNA) where: Base-Base interactions energy: -12.674 where: short stacking energy: -12.674 Base-Backbone interact. energy: -0.000 local terms energy: -22.957625 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -3.440 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: 5, replica: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -35.172086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.172086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.172086 (E_RNA) where: Base-Base interactions energy: -9.258 where: short stacking energy: -9.258 Base-Backbone interact. energy: -0.000 local terms energy: -25.914088 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -32.108629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.108629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.108629 (E_RNA) where: Base-Base interactions energy: -10.859 where: short stacking energy: -10.859 Base-Backbone interact. energy: 0.362 local terms energy: -21.611891 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -31.298600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.298600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.298600 (E_RNA) where: Base-Base interactions energy: -6.743 where: short stacking energy: -6.743 Base-Backbone interact. energy: -0.000 local terms energy: -24.555338 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -3.083 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: 8, replica: 10 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -32.288827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.288827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.288827 (E_RNA) where: Base-Base interactions energy: -9.516 where: short stacking energy: -9.516 Base-Backbone interact. energy: -0.019 local terms energy: -22.753872 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -32.541424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.541424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.541424 (E_RNA) where: Base-Base interactions energy: -9.141 where: short stacking energy: -9.141 Base-Backbone interact. energy: -0.078 local terms energy: -23.322011 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -31.439042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.439042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.439042 (E_RNA) where: Base-Base interactions energy: -10.050 where: short stacking energy: -10.050 Base-Backbone interact. energy: -0.000 local terms energy: -21.389508 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.159 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -4.969 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: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -37.959136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.959136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.959136 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.000 local terms energy: -26.111168 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -38.377802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.377802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.377802 (E_RNA) where: Base-Base interactions energy: -14.389 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.000 local terms energy: -23.988781 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -37.818788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.818788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.818788 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: -0.129 local terms energy: -23.501354 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -33.825234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.825234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.825234 (E_RNA) where: Base-Base interactions energy: -14.953 where: short stacking energy: -14.953 Base-Backbone interact. energy: -0.000 local terms energy: -18.871980 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -0.848 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -37.130775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.130775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.130775 (E_RNA) where: Base-Base interactions energy: -12.093 where: short stacking energy: -12.093 Base-Backbone interact. energy: -0.092 local terms energy: -24.946149 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -32.122911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.122911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.122911 (E_RNA) where: Base-Base interactions energy: -9.641 where: short stacking energy: -9.641 Base-Backbone interact. energy: -0.006 local terms energy: -22.476275 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -35.540513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.540513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.540513 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.000 local terms energy: -24.885198 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -6.459 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: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -32.502736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.502736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.502736 (E_RNA) where: Base-Base interactions energy: -7.886 where: short stacking energy: -7.886 Base-Backbone interact. energy: -0.098 local terms energy: -24.519309 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -3.326 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: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -28.430771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.430771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.430771 (E_RNA) where: Base-Base interactions energy: -4.700 where: short stacking energy: -4.700 Base-Backbone interact. energy: -0.039 local terms energy: -23.691480 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -32.970968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.970968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.970968 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.000 local terms energy: -23.536974 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -39.270496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.270496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.270496 (E_RNA) where: Base-Base interactions energy: -17.075 where: short stacking energy: -17.075 Base-Backbone interact. energy: -0.002 local terms energy: -22.193016 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -42.078900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.078900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.078900 (E_RNA) where: Base-Base interactions energy: -13.736 where: short stacking energy: -13.736 Base-Backbone interact. energy: -0.000 local terms energy: -28.343178 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -33.939432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.939432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.939432 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -12.659 Base-Backbone interact. energy: -0.013 local terms energy: -21.267871 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.670 flat angles P-C4'-P energy: -4.819 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: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -39.222131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.222131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.222131 (E_RNA) where: Base-Base interactions energy: -15.662 where: short stacking energy: -15.662 Base-Backbone interact. energy: -0.000 local terms energy: -23.560580 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -39.936162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.936162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.936162 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.000 local terms energy: -26.021753 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -31.614153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.614153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.614153 (E_RNA) where: Base-Base interactions energy: -12.871 where: short stacking energy: -12.871 Base-Backbone interact. energy: -0.077 local terms energy: -18.665769 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -32.958768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.958768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.958768 (E_RNA) where: Base-Base interactions energy: -10.197 where: short stacking energy: -10.197 Base-Backbone interact. energy: -0.006 local terms energy: -22.756061 where: bonds (distance) C4'-P energy: -2.848 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -30.125849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.125849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.125849 (E_RNA) where: Base-Base interactions energy: -5.940 where: short stacking energy: -5.940 Base-Backbone interact. energy: -0.000 local terms energy: -24.186029 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -32.326355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.326355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.326355 (E_RNA) where: Base-Base interactions energy: -12.170 where: short stacking energy: -12.170 Base-Backbone interact. energy: -0.000 local terms energy: -20.156499 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -4.666 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.684 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: 10, replica: 5 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -28.175469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.175469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.175469 (E_RNA) where: Base-Base interactions energy: -8.208 where: short stacking energy: -8.208 Base-Backbone interact. energy: -0.006 local terms energy: -19.961398 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -4.332 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -2.688 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: 1, replica: 4 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -40.924469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.924469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.924469 (E_RNA) where: Base-Base interactions energy: -15.104 where: short stacking energy: -15.104 Base-Backbone interact. energy: -0.066 local terms energy: -25.754695 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -3.698 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: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -37.654991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.654991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.654991 (E_RNA) where: Base-Base interactions energy: -13.306 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.041 local terms energy: -24.307961 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.565 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: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -37.557833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.557833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.557833 (E_RNA) where: Base-Base interactions energy: -11.084 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.002 local terms energy: -26.472639 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.403 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: 4, replica: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -33.089889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.089889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.089889 (E_RNA) where: Base-Base interactions energy: -11.312 where: short stacking energy: -11.312 Base-Backbone interact. energy: -0.002 local terms energy: -21.775638 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -5.570 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.582 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: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -33.611172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611172 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.001 local terms energy: -21.958372 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.576 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -5.222 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: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -35.491671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.491671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.491671 (E_RNA) where: Base-Base interactions energy: -17.206 where: short stacking energy: -17.206 Base-Backbone interact. energy: -0.010 local terms energy: -18.275681 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: 1.670 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: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -35.795267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.795267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.795267 (E_RNA) where: Base-Base interactions energy: -12.377 where: short stacking energy: -12.377 Base-Backbone interact. energy: -0.010 local terms energy: -23.407949 where: bonds (distance) C4'-P energy: -4.500 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -3.977 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: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -34.602059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.602059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.602059 (E_RNA) where: Base-Base interactions energy: -9.779 where: short stacking energy: -9.779 Base-Backbone interact. energy: -0.000 local terms energy: -24.823104 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -1.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -30.654961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.654961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.654961 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.011 local terms energy: -20.196250 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -32.036348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.036348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.036348 (E_RNA) where: Base-Base interactions energy: -9.513 where: short stacking energy: -10.013 Base-Backbone interact. energy: -0.033 local terms energy: -22.489638 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -4.355 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: 1, replica: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -37.871176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.871176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.871176 (E_RNA) where: Base-Base interactions energy: -14.693 where: short stacking energy: -14.693 Base-Backbone interact. energy: -0.006 local terms energy: -23.171626 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -3.622 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.298 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: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -39.183587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.183587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.183587 (E_RNA) where: Base-Base interactions energy: -12.499 where: short stacking energy: -12.499 Base-Backbone interact. energy: -0.013 local terms energy: -26.670906 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -36.951445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.951445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.951445 (E_RNA) where: Base-Base interactions energy: -15.339 where: short stacking energy: -15.339 Base-Backbone interact. energy: -0.014 local terms energy: -21.599334 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -36.184636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.184636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.184636 (E_RNA) where: Base-Base interactions energy: -14.892 where: short stacking energy: -14.892 Base-Backbone interact. energy: -0.006 local terms energy: -21.286474 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -4.523 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -35.567697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.567697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.567697 (E_RNA) where: Base-Base interactions energy: -13.022 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.000 local terms energy: -22.546131 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -3.448 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: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -30.062326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.062326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.062326 (E_RNA) where: Base-Base interactions energy: -8.045 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.015 local terms energy: -22.002052 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.679 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: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -32.277952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.277952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.277952 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.000 local terms energy: -22.615057 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -28.279356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.279356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.279356 (E_RNA) where: Base-Base interactions energy: -12.466 where: short stacking energy: -12.466 Base-Backbone interact. energy: -0.013 local terms energy: -15.800305 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -2.848 flat angles P-C4'-P energy: -1.936 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: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -34.090944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.090944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.090944 (E_RNA) where: Base-Base interactions energy: -12.260 where: short stacking energy: -12.260 Base-Backbone interact. energy: -0.000 local terms energy: -21.830734 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.797 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: 6 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -26.594286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.594286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.594286 (E_RNA) where: Base-Base interactions energy: -2.511 where: short stacking energy: -2.511 Base-Backbone interact. energy: -0.011 local terms energy: -24.072300 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.930 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: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -37.943347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.943347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.943347 (E_RNA) where: Base-Base interactions energy: -13.675 where: short stacking energy: -13.675 Base-Backbone interact. energy: -0.023 local terms energy: -24.245759 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.991 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: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -36.925005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.925005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.925005 (E_RNA) where: Base-Base interactions energy: -12.802 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.004 local terms energy: -24.118412 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -39.830867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.830867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.830867 (E_RNA) where: Base-Base interactions energy: -15.357 where: short stacking energy: -15.357 Base-Backbone interact. energy: -0.003 local terms energy: -24.470146 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -3.720 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: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -36.099251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.099251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.099251 (E_RNA) where: Base-Base interactions energy: -13.531 where: short stacking energy: -13.531 Base-Backbone interact. energy: -0.001 local terms energy: -22.567841 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -35.962963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.962963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.962963 (E_RNA) where: Base-Base interactions energy: -12.193 where: short stacking energy: -12.193 Base-Backbone interact. energy: -0.000 local terms energy: -23.769786 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -33.389388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.389388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.389388 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -10.232 Base-Backbone interact. energy: -0.029 local terms energy: -23.127522 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -29.163626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.163626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.163626 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.004 local terms energy: -21.823417 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -32.538116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538116 (E_RNA) where: Base-Base interactions energy: -11.655 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.006 local terms energy: -20.876932 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -2.092 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -34.231658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231658 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: -0.000 local terms energy: -23.889617 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -3.737 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: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -29.547215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.547215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.547215 (E_RNA) where: Base-Base interactions energy: -13.172 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.001 local terms energy: -16.375001 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -3.703 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -2.687 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: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -43.354401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.354401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.354401 (E_RNA) where: Base-Base interactions energy: -18.032 where: short stacking energy: -18.032 Base-Backbone interact. energy: -0.000 local terms energy: -25.322181 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -36.100010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.100010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.100010 (E_RNA) where: Base-Base interactions energy: -13.433 where: short stacking energy: -13.433 Base-Backbone interact. energy: -0.019 local terms energy: -22.648669 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -41.199612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.199612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.199612 (E_RNA) where: Base-Base interactions energy: -16.690 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.054 local terms energy: -24.456007 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -38.961421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.961421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.961421 (E_RNA) where: Base-Base interactions energy: -13.539 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.064 local terms energy: -25.358265 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -4.929 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: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -35.573202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.573202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.573202 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.095 local terms energy: -23.446970 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -35.165356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.165356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.165356 (E_RNA) where: Base-Base interactions energy: -12.125 where: short stacking energy: -12.125 Base-Backbone interact. energy: -0.044 local terms energy: -22.996615 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -2.142 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: 7, replica: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -33.480585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.480585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.480585 (E_RNA) where: Base-Base interactions energy: -11.018 where: short stacking energy: -11.018 Base-Backbone interact. energy: -0.082 local terms energy: -22.380487 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -30.281461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.281461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.281461 (E_RNA) where: Base-Base interactions energy: -8.905 where: short stacking energy: -8.905 Base-Backbone interact. energy: -0.008 local terms energy: -21.367827 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.787 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: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -32.906840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.906840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.906840 (E_RNA) where: Base-Base interactions energy: -9.793 where: short stacking energy: -9.793 Base-Backbone interact. energy: -0.012 local terms energy: -23.101839 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -28.277366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.277366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.277366 (E_RNA) where: Base-Base interactions energy: -12.810 where: short stacking energy: -12.810 Base-Backbone interact. energy: -0.008 local terms energy: -15.459480 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: 0.646 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -40.029073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.029073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.029073 (E_RNA) where: Base-Base interactions energy: -14.118 where: short stacking energy: -14.118 Base-Backbone interact. energy: -0.743 local terms energy: -25.167533 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -37.350575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.350575 (E_RNA) where: Base-Base interactions energy: -13.002 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.000 local terms energy: -24.348632 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -37.603813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.603813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.603813 (E_RNA) where: Base-Base interactions energy: -14.080 where: short stacking energy: -14.080 Base-Backbone interact. energy: -0.003 local terms energy: -23.520310 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -3.375 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: 4 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -34.291823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.291823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.291823 (E_RNA) where: Base-Base interactions energy: -12.505 where: short stacking energy: -12.505 Base-Backbone interact. energy: -0.074 local terms energy: -21.713724 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.426 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -4.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -38.564891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.564891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.564891 (E_RNA) where: Base-Base interactions energy: -8.148 where: short stacking energy: -8.148 Base-Backbone interact. energy: -0.000 local terms energy: -30.417048 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -6.968 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: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -36.545457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.545457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.545457 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.000 local terms energy: -24.791318 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -33.751864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.751864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.751864 (E_RNA) where: Base-Base interactions energy: -13.917 where: short stacking energy: -13.917 Base-Backbone interact. energy: -0.000 local terms energy: -19.835266 where: bonds (distance) C4'-P energy: -3.075 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -2.370 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: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -30.996463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.996463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.996463 (E_RNA) where: Base-Base interactions energy: -15.117 where: short stacking energy: -15.117 Base-Backbone interact. energy: -0.020 local terms energy: -15.859716 where: bonds (distance) C4'-P energy: -3.122 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -1.702 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -32.704852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.704852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.704852 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.001 local terms energy: -19.979901 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -3.089 flat angles P-C4'-P energy: -1.739 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: 10, replica: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -28.379387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.379387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.379387 (E_RNA) where: Base-Base interactions energy: -8.052 where: short stacking energy: -8.052 Base-Backbone interact. energy: -0.000 local terms energy: -20.327697 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.232 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: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -37.932271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.932271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.932271 (E_RNA) where: Base-Base interactions energy: -13.258 where: short stacking energy: -13.258 Base-Backbone interact. energy: -0.000 local terms energy: -24.674397 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -35.839614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.839614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.839614 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.000 local terms energy: -24.432394 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -38.823718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.823718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.823718 (E_RNA) where: Base-Base interactions energy: -14.519 where: short stacking energy: -14.519 Base-Backbone interact. energy: -0.000 local terms energy: -24.304796 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -37.885399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.885399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.885399 (E_RNA) where: Base-Base interactions energy: -16.602 where: short stacking energy: -16.602 Base-Backbone interact. energy: -0.000 local terms energy: -21.283108 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -2.539 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -4.208 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: 5, replica: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -38.322888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.322888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.322888 (E_RNA) where: Base-Base interactions energy: -13.078 where: short stacking energy: -13.078 Base-Backbone interact. energy: -0.000 local terms energy: -25.244561 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -32.165070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.165070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.165070 (E_RNA) where: Base-Base interactions energy: -11.199 where: short stacking energy: -9.353 Base-Backbone interact. energy: -0.455 local terms energy: -20.511333 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -5.393 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: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -31.140875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.140875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.140875 (E_RNA) where: Base-Base interactions energy: -8.977 where: short stacking energy: -8.977 Base-Backbone interact. energy: -0.092 local terms energy: -22.072077 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -34.442957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.442957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.442957 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -9.419 Base-Backbone interact. energy: -0.100 local terms energy: -24.924193 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.668 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: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -36.591236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.591236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.591236 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.000 local terms energy: -23.826090 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -31.291930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.291930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.291930 (E_RNA) where: Base-Base interactions energy: -12.443 where: short stacking energy: -12.443 Base-Backbone interact. energy: -0.023 local terms energy: -18.826053 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -37.010735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.010735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.010735 (E_RNA) where: Base-Base interactions energy: -14.884 where: short stacking energy: -14.884 Base-Backbone interact. energy: -0.018 local terms energy: -22.109468 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.794 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: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -36.220726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.220726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.220726 (E_RNA) where: Base-Base interactions energy: -12.548 where: short stacking energy: -12.548 Base-Backbone interact. energy: -0.058 local terms energy: -23.614785 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -2.059 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -40.653286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.653286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.653286 (E_RNA) where: Base-Base interactions energy: -15.686 where: short stacking energy: -15.686 Base-Backbone interact. energy: -0.000 local terms energy: -24.967556 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -2.053 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -32.569260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.569260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.569260 (E_RNA) where: Base-Base interactions energy: -13.056 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.779 local terms energy: -18.734308 where: bonds (distance) C4'-P energy: -2.545 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: 0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -34.113376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.113376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.113376 (E_RNA) where: Base-Base interactions energy: -10.681 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.002 local terms energy: -23.430324 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -2.274 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: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -36.600843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.600843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.600843 (E_RNA) where: Base-Base interactions energy: -13.132 where: short stacking energy: -13.132 Base-Backbone interact. energy: -0.000 local terms energy: -23.468698 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -31.271888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.271888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.271888 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.088 local terms energy: -23.780251 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -5.333 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: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -31.339182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339182 (E_RNA) where: Base-Base interactions energy: -9.769 where: short stacking energy: -9.769 Base-Backbone interact. energy: -0.000 local terms energy: -21.569381 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -3.991 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: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -28.869247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.869247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.869247 (E_RNA) where: Base-Base interactions energy: -6.434 where: short stacking energy: -6.434 Base-Backbone interact. energy: -0.001 local terms energy: -22.433274 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -33.751979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.751979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.751979 (E_RNA) where: Base-Base interactions energy: -14.137 where: short stacking energy: -14.137 Base-Backbone interact. energy: -0.014 local terms energy: -19.601727 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -2.512 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: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -38.638098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.638098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.638098 (E_RNA) where: Base-Base interactions energy: -15.401 where: short stacking energy: -15.401 Base-Backbone interact. energy: -0.006 local terms energy: -23.231148 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -2.467 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: 2, replica: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -40.472519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.472519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.472519 (E_RNA) where: Base-Base interactions energy: -13.302 where: short stacking energy: -13.302 Base-Backbone interact. energy: -0.000 local terms energy: -27.170330 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -3.423 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: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -35.559764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.559764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.559764 (E_RNA) where: Base-Base interactions energy: -11.413 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.000 local terms energy: -24.146674 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -5.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -33.339252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.339252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.339252 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.000 local terms energy: -21.988524 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.475 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: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -35.942457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.942457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.942457 (E_RNA) where: Base-Base interactions energy: -13.850 where: short stacking energy: -13.850 Base-Backbone interact. energy: -0.000 local terms energy: -22.092885 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -31.965413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.965413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.965413 (E_RNA) where: Base-Base interactions energy: -10.533 where: short stacking energy: -10.533 Base-Backbone interact. energy: -0.101 local terms energy: -21.331453 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -34.203165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.203165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.203165 (E_RNA) where: Base-Base interactions energy: -15.794 where: short stacking energy: -15.794 Base-Backbone interact. energy: -0.003 local terms energy: -18.406371 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -2.995 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: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -32.213911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213911 (E_RNA) where: Base-Base interactions energy: -9.224 where: short stacking energy: -9.224 Base-Backbone interact. energy: -0.000 local terms energy: -22.989742 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -4.126 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: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -30.588912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.588912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.588912 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: 0.709 local terms energy: -20.049626 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -2.752 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: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -28.496338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.496338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.496338 (E_RNA) where: Base-Base interactions energy: -7.123 where: short stacking energy: -7.123 Base-Backbone interact. energy: -0.007 local terms energy: -21.365851 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -43.233292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.233292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.233292 (E_RNA) where: Base-Base interactions energy: -16.516 where: short stacking energy: -16.516 Base-Backbone interact. energy: -0.005 local terms energy: -26.712276 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -44.144687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.144687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.144687 (E_RNA) where: Base-Base interactions energy: -16.528 where: short stacking energy: -16.528 Base-Backbone interact. energy: -0.000 local terms energy: -27.616913 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -34.137527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.137527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.137527 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.000 local terms energy: -22.525361 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -30.859341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.859341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.859341 (E_RNA) where: Base-Base interactions energy: -8.176 where: short stacking energy: -8.176 Base-Backbone interact. energy: -0.127 local terms energy: -22.555379 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -35.893316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.893316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.893316 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.000 local terms energy: -24.766574 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -4.800 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: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -36.070726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.070726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.070726 (E_RNA) where: Base-Base interactions energy: -14.605 where: short stacking energy: -14.605 Base-Backbone interact. energy: -0.000 local terms energy: -21.465888 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.377 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: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -30.983946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.983946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.983946 (E_RNA) where: Base-Base interactions energy: -10.284 where: short stacking energy: -10.284 Base-Backbone interact. energy: -0.023 local terms energy: -20.676448 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -32.998045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.998045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.998045 (E_RNA) where: Base-Base interactions energy: -12.304 where: short stacking energy: -12.304 Base-Backbone interact. energy: -0.001 local terms energy: -20.693662 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -1.639 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: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -27.675947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.675947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.675947 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.000 local terms energy: -20.282555 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -27.561335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.561335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.561335 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.000 local terms energy: -19.947621 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -3.398 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.802 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: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -42.331750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.331750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.331750 (E_RNA) where: Base-Base interactions energy: -17.614 where: short stacking energy: -17.614 Base-Backbone interact. energy: -0.000 local terms energy: -24.717930 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -37.522428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.522428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.522428 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.001 local terms energy: -23.121531 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -36.456089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456089 (E_RNA) where: Base-Base interactions energy: -13.844 where: short stacking energy: -13.844 Base-Backbone interact. energy: -0.000 local terms energy: -22.611557 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -34.854645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.854645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.854645 (E_RNA) where: Base-Base interactions energy: -12.348 where: short stacking energy: -12.348 Base-Backbone interact. energy: -0.000 local terms energy: -22.506213 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -32.041460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.041460 (E_RNA) where: Base-Base interactions energy: -8.169 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.003 local terms energy: -23.869407 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -32.489606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.489606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.489606 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.000 local terms energy: -22.342052 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -1.848 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: 7, replica: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -26.166925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.166925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.166925 (E_RNA) where: Base-Base interactions energy: -5.737 where: short stacking energy: -5.737 Base-Backbone interact. energy: -0.845 local terms energy: -19.585274 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: 0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -31.946855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.946855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.946855 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -9.144 Base-Backbone interact. energy: -0.000 local terms energy: -22.802925 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -32.062107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.062107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.062107 (E_RNA) where: Base-Base interactions energy: -10.797 where: short stacking energy: -10.797 Base-Backbone interact. energy: -0.000 local terms energy: -21.264914 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -27.212232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.212232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.212232 (E_RNA) where: Base-Base interactions energy: -5.767 where: short stacking energy: -5.767 Base-Backbone interact. energy: -0.005 local terms energy: -21.439649 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -39.605864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.605864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.605864 (E_RNA) where: Base-Base interactions energy: -13.965 where: short stacking energy: -13.965 Base-Backbone interact. energy: -0.008 local terms energy: -25.633219 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -41.385033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.385033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.385033 (E_RNA) where: Base-Base interactions energy: -15.340 where: short stacking energy: -15.340 Base-Backbone interact. energy: -0.000 local terms energy: -26.045260 where: bonds (distance) C4'-P energy: -4.404 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -6.495 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: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -38.888269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.888269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.888269 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.000 local terms energy: -25.891852 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -2.001 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -34.465559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.465559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.465559 (E_RNA) where: Base-Base interactions energy: -12.812 where: short stacking energy: -12.335 Base-Backbone interact. energy: -0.000 local terms energy: -21.653161 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -37.647857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647857 (E_RNA) where: Base-Base interactions energy: -14.440 where: short stacking energy: -12.836 Base-Backbone interact. energy: -0.000 local terms energy: -23.208125 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -3.313 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: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -30.094856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.094856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.094856 (E_RNA) where: Base-Base interactions energy: -10.892 where: short stacking energy: -10.892 Base-Backbone interact. energy: -0.015 local terms energy: -19.187397 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -3.090 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: 7, replica: 8 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -33.293965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.293965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.293965 (E_RNA) where: Base-Base interactions energy: -9.662 where: short stacking energy: -9.662 Base-Backbone interact. energy: -0.001 local terms energy: -23.630817 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -32.815768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.815768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.815768 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: -0.193 local terms energy: -19.296336 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -31.093193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.093193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.093193 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.000 local terms energy: -22.932590 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.125 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -1.909 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: 10, replica: 6 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -33.571030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.571030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.571030 (E_RNA) where: Base-Base interactions energy: -10.359 where: short stacking energy: -10.359 Base-Backbone interact. energy: -0.024 local terms energy: -23.188521 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.566 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: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -38.826246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.826246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.826246 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -12.422 Base-Backbone interact. energy: -0.003 local terms energy: -26.402025 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -36.613878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.613878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.613878 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -14.059 Base-Backbone interact. energy: -0.016 local terms energy: -22.538959 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -36.543779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.543779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.543779 (E_RNA) where: Base-Base interactions energy: -13.297 where: short stacking energy: -13.297 Base-Backbone interact. energy: -0.006 local terms energy: -23.240919 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.501 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: 4, replica: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -39.217083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.217083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.217083 (E_RNA) where: Base-Base interactions energy: -16.399 where: short stacking energy: -16.399 Base-Backbone interact. energy: -0.000 local terms energy: -22.817918 where: bonds (distance) C4'-P energy: -2.314 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -6.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -35.040602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.040602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.040602 (E_RNA) where: Base-Base interactions energy: -16.159 where: short stacking energy: -16.159 Base-Backbone interact. energy: -0.000 local terms energy: -18.881421 where: bonds (distance) C4'-P energy: -2.732 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -1.596 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -35.521150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.521150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.521150 (E_RNA) where: Base-Base interactions energy: -14.289 where: short stacking energy: -14.289 Base-Backbone interact. energy: -0.009 local terms energy: -21.223683 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -36.419087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.419087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.419087 (E_RNA) where: Base-Base interactions energy: -14.884 where: short stacking energy: -14.884 Base-Backbone interact. energy: -0.001 local terms energy: -21.534636 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -31.252852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.252852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.252852 (E_RNA) where: Base-Base interactions energy: -9.290 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.001 local terms energy: -21.961959 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.912 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: 9, replica: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -30.820479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.820479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.820479 (E_RNA) where: Base-Base interactions energy: -9.592 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.000 local terms energy: -21.228113 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -30.397453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.397453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.397453 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: -7.330 Base-Backbone interact. energy: -0.714 local terms energy: -22.353662 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -5.090 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: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -39.984935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.984935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.984935 (E_RNA) where: Base-Base interactions energy: -17.317 where: short stacking energy: -17.317 Base-Backbone interact. energy: -0.003 local terms energy: -22.664741 where: bonds (distance) C4'-P energy: -4.164 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.337 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: 2, replica: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -36.818880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.818880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.818880 (E_RNA) where: Base-Base interactions energy: -13.531 where: short stacking energy: -13.531 Base-Backbone interact. energy: -0.002 local terms energy: -23.286012 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.008 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: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -37.633844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.633844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.633844 (E_RNA) where: Base-Base interactions energy: -15.592 where: short stacking energy: -15.592 Base-Backbone interact. energy: -0.002 local terms energy: -22.039986 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: 0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -34.728502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.728502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.728502 (E_RNA) where: Base-Base interactions energy: -13.518 where: short stacking energy: -13.518 Base-Backbone interact. energy: -0.127 local terms energy: -21.083434 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.614 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: 5, replica: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -34.888346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888346 (E_RNA) where: Base-Base interactions energy: -13.169 where: short stacking energy: -13.169 Base-Backbone interact. energy: -0.000 local terms energy: -21.719700 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -2.365 tors. eta vs tors. theta energy: -3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -35.729114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.729114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.729114 (E_RNA) where: Base-Base interactions energy: -14.719 where: short stacking energy: -14.719 Base-Backbone interact. energy: -0.000 local terms energy: -21.009830 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -31.019488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.019488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.019488 (E_RNA) where: Base-Base interactions energy: -10.170 where: short stacking energy: -10.170 Base-Backbone interact. energy: -0.003 local terms energy: -20.845759 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -4.476 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: 476 Temperature: 1.250000 Total energy: -29.514165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.514165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.514165 (E_RNA) where: Base-Base interactions energy: -9.072 where: short stacking energy: -9.072 Base-Backbone interact. energy: -0.012 local terms energy: -20.430281 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -1.225 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -32.491927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491927 (E_RNA) where: Base-Base interactions energy: -11.138 where: short stacking energy: -11.138 Base-Backbone interact. energy: -0.237 local terms energy: -21.116510 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: 1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -29.604680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.604680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.604680 (E_RNA) where: Base-Base interactions energy: -8.047 where: short stacking energy: -8.047 Base-Backbone interact. energy: -0.022 local terms energy: -21.535848 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -2.240 flat angles P-C4'-P energy: -4.395 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: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -36.896896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.896896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.896896 (E_RNA) where: Base-Base interactions energy: -13.097 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.552 local terms energy: -23.247270 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -35.763930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.763930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.763930 (E_RNA) where: Base-Base interactions energy: -12.149 where: short stacking energy: -12.149 Base-Backbone interact. energy: -0.000 local terms energy: -23.614147 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -3.886 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: 3, replica: 10 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -37.934842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.934842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.934842 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.000 local terms energy: -23.179528 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -34.834789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.834789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.834789 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: -0.000 local terms energy: -21.056697 where: bonds (distance) C4'-P energy: -2.558 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -34.313011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.313011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.313011 (E_RNA) where: Base-Base interactions energy: -8.240 where: short stacking energy: -8.240 Base-Backbone interact. energy: -0.053 local terms energy: -26.019747 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -31.526960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.526960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.526960 (E_RNA) where: Base-Base interactions energy: -12.416 where: short stacking energy: -12.416 Base-Backbone interact. energy: -0.003 local terms energy: -19.107568 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -30.691245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.691245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.691245 (E_RNA) where: Base-Base interactions energy: -7.753 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.002 local terms energy: -22.936734 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -32.733391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.733391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.733391 (E_RNA) where: Base-Base interactions energy: -7.655 where: short stacking energy: -7.655 Base-Backbone interact. energy: -0.001 local terms energy: -25.077357 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -27.935202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.935202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.935202 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.095 local terms energy: -20.181630 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -3.301 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: 6 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -28.210214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.210214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.210214 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -7.618 Base-Backbone interact. energy: -0.005 local terms energy: -20.586963 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.187 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: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -42.309334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.309334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.309334 (E_RNA) where: Base-Base interactions energy: -15.751 where: short stacking energy: -15.751 Base-Backbone interact. energy: -0.004 local terms energy: -26.554770 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -38.592745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.592745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.592745 (E_RNA) where: Base-Base interactions energy: -14.624 where: short stacking energy: -14.624 Base-Backbone interact. energy: -0.008 local terms energy: -23.960582 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.233 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: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -41.268698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.268698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.268698 (E_RNA) where: Base-Base interactions energy: -15.723 where: short stacking energy: -15.723 Base-Backbone interact. energy: -0.000 local terms energy: -25.545407 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -35.509185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.509185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.509185 (E_RNA) where: Base-Base interactions energy: -16.342 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.105 local terms energy: -19.061786 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -2.139 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -34.564190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.564190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.564190 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: -0.057 local terms energy: -21.307761 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.276 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: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -34.959184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.959184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.959184 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.025 local terms energy: -22.850636 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -5.108 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: 7, replica: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -28.101137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.101137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.101137 (E_RNA) where: Base-Base interactions energy: -10.858 where: short stacking energy: -10.858 Base-Backbone interact. energy: -0.031 local terms energy: -17.211922 where: bonds (distance) C4'-P energy: -2.161 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -29.697794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697794 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.146 local terms energy: -20.645006 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.842 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: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -32.633867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.633867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.633867 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.032 local terms energy: -23.416785 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -3.772 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: 10, replica: 6 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -29.051330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.051330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.051330 (E_RNA) where: Base-Base interactions energy: -8.724 where: short stacking energy: -8.724 Base-Backbone interact. energy: -0.087 local terms energy: -20.241291 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -41.050169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.050169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.050169 (E_RNA) where: Base-Base interactions energy: -13.370 where: short stacking energy: -13.370 Base-Backbone interact. energy: -0.005 local terms energy: -27.675863 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -5.394 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: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -41.968968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.968968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.968968 (E_RNA) where: Base-Base interactions energy: -17.812 where: short stacking energy: -17.812 Base-Backbone interact. energy: -0.005 local terms energy: -24.151896 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -36.228224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.228224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.228224 (E_RNA) where: Base-Base interactions energy: -13.530 where: short stacking energy: -13.530 Base-Backbone interact. energy: -0.001 local terms energy: -22.697007 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -39.943101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.943101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.943101 (E_RNA) where: Base-Base interactions energy: -12.814 where: short stacking energy: -12.814 Base-Backbone interact. energy: -0.000 local terms energy: -27.129128 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -5.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -29.655685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.655685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.655685 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.003 local terms energy: -20.843933 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -30.663366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.663366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.663366 (E_RNA) where: Base-Base interactions energy: -14.091 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.107 local terms energy: -16.465343 where: bonds (distance) C4'-P energy: -2.802 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.228 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -29.509251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.509251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.509251 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.061 local terms energy: -21.491357 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -3.682 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: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -34.329139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.329139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.329139 (E_RNA) where: Base-Base interactions energy: -11.524 where: short stacking energy: -11.524 Base-Backbone interact. energy: -0.060 local terms energy: -22.744182 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -31.799000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.799000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.799000 (E_RNA) where: Base-Base interactions energy: -11.245 where: short stacking energy: -11.245 Base-Backbone interact. energy: -0.129 local terms energy: -20.424884 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -3.787 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: 6 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -31.625076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.625076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.625076 (E_RNA) where: Base-Base interactions energy: -8.776 where: short stacking energy: -8.776 Base-Backbone interact. energy: -0.000 local terms energy: -22.849038 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -2.384 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: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -33.929683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.929683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.929683 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -23.116501 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -37.807776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.807776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.807776 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.000 local terms energy: -23.877789 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -37.085165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.085165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.085165 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.002 local terms energy: -23.698354 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -33.290220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.290220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.290220 (E_RNA) where: Base-Base interactions energy: -10.369 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.007 local terms energy: -22.915010 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.764 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: 480 Temperature: 1.100000 Total energy: -42.782423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.782423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.782423 (E_RNA) where: Base-Base interactions energy: -16.761 where: short stacking energy: -16.761 Base-Backbone interact. energy: -0.000 local terms energy: -26.020604 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -2.310 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: 6, replica: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -32.402918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.402918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.402918 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.094 local terms energy: -22.176986 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -33.392282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.392282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.392282 (E_RNA) where: Base-Base interactions energy: -12.200 where: short stacking energy: -8.206 Base-Backbone interact. energy: -0.044 local terms energy: -21.148246 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -2.247 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: 8, replica: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -29.503211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.503211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.503211 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.068 local terms energy: -19.801301 where: bonds (distance) C4'-P energy: -1.523 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -1.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -28.428486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.428486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.428486 (E_RNA) where: Base-Base interactions energy: -9.733 where: short stacking energy: -9.733 Base-Backbone interact. energy: -0.165 local terms energy: -18.530095 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: 1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -24.316945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.316945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.316945 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.175 local terms energy: -16.118880 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: 0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -39.220572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.220572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.220572 (E_RNA) where: Base-Base interactions energy: -13.310 where: short stacking energy: -13.310 Base-Backbone interact. energy: -0.009 local terms energy: -25.901864 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -38.275805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.275805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.275805 (E_RNA) where: Base-Base interactions energy: -15.763 where: short stacking energy: -15.763 Base-Backbone interact. energy: -0.001 local terms energy: -22.511588 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -3.275 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: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -36.115154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.115154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.115154 (E_RNA) where: Base-Base interactions energy: -13.774 where: short stacking energy: -13.774 Base-Backbone interact. energy: -0.124 local terms energy: -22.217709 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -37.840112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.840112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.840112 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.000 local terms energy: -23.468877 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -4.843 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: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -34.366601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.366601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.366601 (E_RNA) where: Base-Base interactions energy: -13.845 where: short stacking energy: -13.845 Base-Backbone interact. energy: -0.008 local terms energy: -20.513894 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -34.240912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.240912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.240912 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.078 local terms energy: -21.215762 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -28.032768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.032768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.032768 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.027 local terms energy: -20.746023 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -1.535 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -29.265449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.265449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.265449 (E_RNA) where: Base-Base interactions energy: -8.869 where: short stacking energy: -8.869 Base-Backbone interact. energy: -0.003 local terms energy: -20.392469 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -2.087 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: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -28.818880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.818880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.818880 (E_RNA) where: Base-Base interactions energy: -9.681 where: short stacking energy: -9.681 Base-Backbone interact. energy: -0.044 local terms energy: -19.094384 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -2.270 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: 10, replica: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -27.642218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.642218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.642218 (E_RNA) where: Base-Base interactions energy: -7.342 where: short stacking energy: -7.342 Base-Backbone interact. energy: -0.087 local terms energy: -20.213365 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -43.170818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.170818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.170818 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.007 local terms energy: -27.223570 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -38.158625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.158625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.158625 (E_RNA) where: Base-Base interactions energy: -15.586 where: short stacking energy: -15.586 Base-Backbone interact. energy: -0.000 local terms energy: -22.573014 where: bonds (distance) C4'-P energy: -3.975 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -3.425 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: 3, replica: 1 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -36.456287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456287 (E_RNA) where: Base-Base interactions energy: -12.685 where: short stacking energy: -12.685 Base-Backbone interact. energy: -0.000 local terms energy: -23.770865 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -2.027 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: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -35.445975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.445975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.445975 (E_RNA) where: Base-Base interactions energy: -16.843 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.002 local terms energy: -18.600511 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -1.932 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: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -29.940264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.940264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.940264 (E_RNA) where: Base-Base interactions energy: -6.465 where: short stacking energy: -6.465 Base-Backbone interact. energy: -0.021 local terms energy: -23.454168 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -3.220 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: 6, replica: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -29.969458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.969458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.969458 (E_RNA) where: Base-Base interactions energy: -10.807 where: short stacking energy: -10.807 Base-Backbone interact. energy: -0.001 local terms energy: -19.162132 where: bonds (distance) C4'-P energy: -3.638 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -1.963 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: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -32.169871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.169871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.169871 (E_RNA) where: Base-Base interactions energy: -15.623 where: short stacking energy: -15.623 Base-Backbone interact. energy: -0.020 local terms energy: -16.527042 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.070 flat angles P-C4'-P energy: -3.517 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: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -31.553365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.553365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.553365 (E_RNA) where: Base-Base interactions energy: -10.088 where: short stacking energy: -10.088 Base-Backbone interact. energy: -0.156 local terms energy: -21.309120 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: 0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -28.210967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.210967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.210967 (E_RNA) where: Base-Base interactions energy: -9.168 where: short stacking energy: -9.168 Base-Backbone interact. energy: -0.005 local terms energy: -19.037833 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: 1.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -27.087862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.087862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.087862 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.045 local terms energy: -19.573445 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -1.522 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -38.229550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.229550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.229550 (E_RNA) where: Base-Base interactions energy: -15.354 where: short stacking energy: -15.354 Base-Backbone interact. energy: -0.031 local terms energy: -22.844686 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -2.980 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: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -40.874368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.874368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.874368 (E_RNA) where: Base-Base interactions energy: -16.856 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.117 local terms energy: -23.901588 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -4.610 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: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -34.463018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463018 (E_RNA) where: Base-Base interactions energy: -12.022 where: short stacking energy: -12.022 Base-Backbone interact. energy: -0.000 local terms energy: -22.441035 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -33.920675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.920675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.920675 (E_RNA) where: Base-Base interactions energy: -13.546 where: short stacking energy: -13.546 Base-Backbone interact. energy: -0.052 local terms energy: -20.322969 where: bonds (distance) C4'-P energy: -2.885 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -38.773871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.773871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.773871 (E_RNA) where: Base-Base interactions energy: -12.803 where: short stacking energy: -12.803 Base-Backbone interact. energy: -0.002 local terms energy: -25.968891 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.927 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: 8 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -34.177947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.177947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.177947 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.000 local terms energy: -26.077452 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -4.325 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: 7, replica: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -30.991529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.991529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.991529 (E_RNA) where: Base-Base interactions energy: -12.020 where: short stacking energy: -12.020 Base-Backbone interact. energy: -0.000 local terms energy: -18.971882 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -2.478 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: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -32.686605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.686605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.686605 (E_RNA) where: Base-Base interactions energy: -9.780 where: short stacking energy: -9.780 Base-Backbone interact. energy: -0.013 local terms energy: -22.894317 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -26.939052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.939052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.939052 (E_RNA) where: Base-Base interactions energy: -9.147 where: short stacking energy: -9.147 Base-Backbone interact. energy: -0.002 local terms energy: -17.789910 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -31.314703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.314703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.314703 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.017 local terms energy: -20.588650 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: 0.954 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: 1, replica: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -42.181538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.181538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.181538 (E_RNA) where: Base-Base interactions energy: -13.026 where: short stacking energy: -13.026 Base-Backbone interact. energy: -0.012 local terms energy: -29.143771 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -42.288349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.288349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.288349 (E_RNA) where: Base-Base interactions energy: -16.528 where: short stacking energy: -15.350 Base-Backbone interact. energy: -0.000 local terms energy: -25.760450 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -2.206 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: 3, replica: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -35.087976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.087976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.087976 (E_RNA) where: Base-Base interactions energy: -12.916 where: short stacking energy: -12.916 Base-Backbone interact. energy: -0.010 local terms energy: -22.162339 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -37.381489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.381489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.381489 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.024 local terms energy: -25.827858 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -33.461040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.461040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.461040 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: 0.143 local terms energy: -20.276592 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -3.808 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.987 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: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -33.900794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.900794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.900794 (E_RNA) where: Base-Base interactions energy: -13.810 where: short stacking energy: -13.810 Base-Backbone interact. energy: -0.039 local terms energy: -20.052335 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -31.535418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.535418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.535418 (E_RNA) where: Base-Base interactions energy: -11.495 where: short stacking energy: -11.495 Base-Backbone interact. energy: -0.128 local terms energy: -19.912950 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.263 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -32.668286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.668286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.668286 (E_RNA) where: Base-Base interactions energy: -13.003 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.000 local terms energy: -19.665357 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -26.886674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.886674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.886674 (E_RNA) where: Base-Base interactions energy: -2.576 where: short stacking energy: -2.576 Base-Backbone interact. energy: -0.000 local terms energy: -24.310594 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -4.288 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: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -28.066051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.066051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.066051 (E_RNA) where: Base-Base interactions energy: -8.266 where: short stacking energy: -8.266 Base-Backbone interact. energy: -0.005 local terms energy: -19.795384 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -1.700 flat angles P-C4'-P energy: -2.887 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: 1, replica: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -41.915770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.915770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.915770 (E_RNA) where: Base-Base interactions energy: -13.855 where: short stacking energy: -13.855 Base-Backbone interact. energy: -0.000 local terms energy: -28.061131 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -5.916 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: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -38.609159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.609159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.609159 (E_RNA) where: Base-Base interactions energy: -11.405 where: short stacking energy: -10.522 Base-Backbone interact. energy: -0.000 local terms energy: -27.203618 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -5.448 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: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -35.695787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.695787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.695787 (E_RNA) where: Base-Base interactions energy: -13.897 where: short stacking energy: -13.897 Base-Backbone interact. energy: -0.030 local terms energy: -21.768855 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -3.980 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: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -33.212063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.212063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.212063 (E_RNA) where: Base-Base interactions energy: -11.230 where: short stacking energy: -11.230 Base-Backbone interact. energy: -0.051 local terms energy: -21.930680 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -39.099355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.099355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.099355 (E_RNA) where: Base-Base interactions energy: -14.112 where: short stacking energy: -14.112 Base-Backbone interact. energy: -0.000 local terms energy: -24.987770 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -31.371102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.371102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.371102 (E_RNA) where: Base-Base interactions energy: -9.441 where: short stacking energy: -9.441 Base-Backbone interact. energy: -0.003 local terms energy: -21.927220 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -5.178 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: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -30.263321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.263321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.263321 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.144 local terms energy: -21.747526 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.394 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -30.100861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.100861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.100861 (E_RNA) where: Base-Base interactions energy: -11.696 where: short stacking energy: -11.696 Base-Backbone interact. energy: -0.118 local terms energy: -18.287021 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.052 flat angles P-C4'-P energy: -4.064 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: 9, replica: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -32.760114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760114 (E_RNA) where: Base-Base interactions energy: -11.682 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.100 local terms energy: -20.977986 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -36.848024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.848024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.848024 (E_RNA) where: Base-Base interactions energy: -11.658 where: short stacking energy: -11.658 Base-Backbone interact. energy: -0.038 local terms energy: -25.152291 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -42.999539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.999539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.999539 (E_RNA) where: Base-Base interactions energy: -17.907 where: short stacking energy: -17.907 Base-Backbone interact. energy: -0.000 local terms energy: -25.092168 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -5.133 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: 2, replica: 1 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -35.220723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.220723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.220723 (E_RNA) where: Base-Base interactions energy: -12.356 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.055 local terms energy: -22.810458 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -34.472833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.472833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.472833 (E_RNA) where: Base-Base interactions energy: -10.046 where: short stacking energy: -10.046 Base-Backbone interact. energy: -0.001 local terms energy: -24.425951 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -4.909 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: 4, replica: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -35.217134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.217134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.217134 (E_RNA) where: Base-Base interactions energy: -13.585 where: short stacking energy: -13.585 Base-Backbone interact. energy: -0.731 local terms energy: -20.901691 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -3.558 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: 5, replica: 6 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -33.739827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.739827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.739827 (E_RNA) where: Base-Base interactions energy: -14.623 where: short stacking energy: -14.623 Base-Backbone interact. energy: -0.000 local terms energy: -19.116259 where: bonds (distance) C4'-P energy: -2.367 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -2.306 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: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -32.585708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.585708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.585708 (E_RNA) where: Base-Base interactions energy: -10.169 where: short stacking energy: -10.169 Base-Backbone interact. energy: -0.022 local terms energy: -22.394572 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -28.369984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.369984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.369984 (E_RNA) where: Base-Base interactions energy: -9.514 where: short stacking energy: -9.514 Base-Backbone interact. energy: -0.045 local terms energy: -18.811665 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -1.466 tors. eta vs tors. theta energy: -0.655 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: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -28.766705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.766705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.766705 (E_RNA) where: Base-Base interactions energy: -9.233 where: short stacking energy: -9.233 Base-Backbone interact. energy: -0.088 local terms energy: -19.445148 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -1.853 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -33.719914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.719914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.719914 (E_RNA) where: Base-Base interactions energy: -12.428 where: short stacking energy: -12.428 Base-Backbone interact. energy: -0.000 local terms energy: -21.291262 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.503 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -2.539 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: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -28.649805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.649805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.649805 (E_RNA) where: Base-Base interactions energy: -6.822 where: short stacking energy: -6.822 Base-Backbone interact. energy: -0.684 local terms energy: -21.143353 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: 0.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -38.589672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.589672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.589672 (E_RNA) where: Base-Base interactions energy: -12.892 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.000 local terms energy: -25.697906 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -38.842002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.842002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.842002 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -17.586 Base-Backbone interact. energy: -0.000 local terms energy: -21.256244 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -2.168 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: 3, replica: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -36.509493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.509493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.509493 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.002 local terms energy: -23.301114 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.243 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: 4, replica: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -34.353480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.353480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.353480 (E_RNA) where: Base-Base interactions energy: -13.307 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.000 local terms energy: -21.046674 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -37.523988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.523988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.523988 (E_RNA) where: Base-Base interactions energy: -13.542 where: short stacking energy: -13.542 Base-Backbone interact. energy: -0.004 local terms energy: -23.977749 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -31.793350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.793350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.793350 (E_RNA) where: Base-Base interactions energy: -10.752 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.037 local terms energy: -21.004352 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -33.346510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.346510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.346510 (E_RNA) where: Base-Base interactions energy: -10.396 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.001 local terms energy: -22.949837 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -3.078 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: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -33.794928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794928 (E_RNA) where: Base-Base interactions energy: -8.861 where: short stacking energy: -8.861 Base-Backbone interact. energy: -0.000 local terms energy: -24.933633 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -32.001999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.001999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.001999 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.115 local terms energy: -18.364599 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.294 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -28.520040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.520040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.520040 (E_RNA) where: Base-Base interactions energy: -9.143 where: short stacking energy: -9.143 Base-Backbone interact. energy: -0.000 local terms energy: -19.376838 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: 0.080 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -42.257357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.257357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.257357 (E_RNA) where: Base-Base interactions energy: -12.734 where: short stacking energy: -12.734 Base-Backbone interact. energy: -0.000 local terms energy: -29.523601 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -35.295051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295051 (E_RNA) where: Base-Base interactions energy: -11.162 where: short stacking energy: -11.162 Base-Backbone interact. energy: -0.103 local terms energy: -24.029534 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -35.157981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.157981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.157981 (E_RNA) where: Base-Base interactions energy: -12.666 where: short stacking energy: -12.666 Base-Backbone interact. energy: -0.000 local terms energy: -22.491791 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -4.918 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: 4, replica: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -34.156363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.156363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.156363 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.383 Base-Backbone interact. energy: -0.185 local terms energy: -21.587493 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -38.536060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.536060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.536060 (E_RNA) where: Base-Base interactions energy: -16.151 where: short stacking energy: -16.151 Base-Backbone interact. energy: 0.457 local terms energy: -22.841244 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -2.955 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -33.112430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.112430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.112430 (E_RNA) where: Base-Base interactions energy: -9.524 where: short stacking energy: -9.524 Base-Backbone interact. energy: -0.028 local terms energy: -23.560741 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -28.861812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.861812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.861812 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.000 local terms energy: -18.642749 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -32.389524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.389524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.389524 (E_RNA) where: Base-Base interactions energy: -12.024 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.001 local terms energy: -20.364373 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -38.444156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.444156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.444156 (E_RNA) where: Base-Base interactions energy: -11.804 where: short stacking energy: -11.804 Base-Backbone interact. energy: -0.090 local terms energy: -26.549836 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -5.146 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: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -33.729459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.729459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.729459 (E_RNA) where: Base-Base interactions energy: -8.802 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.000 local terms energy: -24.926948 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -2.446 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: 1, replica: 1 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -42.055371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.055371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.055371 (E_RNA) where: Base-Base interactions energy: -17.549 where: short stacking energy: -17.549 Base-Backbone interact. energy: -0.071 local terms energy: -24.435815 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -4.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -38.588829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.588829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.588829 (E_RNA) where: Base-Base interactions energy: -14.486 where: short stacking energy: -14.486 Base-Backbone interact. energy: -0.000 local terms energy: -24.102114 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -42.994828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.994828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.994828 (E_RNA) where: Base-Base interactions energy: -18.198 where: short stacking energy: -18.198 Base-Backbone interact. energy: -0.000 local terms energy: -24.796587 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -31.234672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.234672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.234672 (E_RNA) where: Base-Base interactions energy: -14.183 where: short stacking energy: -14.183 Base-Backbone interact. energy: -0.222 local terms energy: -16.830112 where: bonds (distance) C4'-P energy: -2.794 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -0.867 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: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -37.782341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.782341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.782341 (E_RNA) where: Base-Base interactions energy: -13.901 where: short stacking energy: -13.901 Base-Backbone interact. energy: -0.000 local terms energy: -23.880802 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -34.366079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.366079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.366079 (E_RNA) where: Base-Base interactions energy: -12.095 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.000 local terms energy: -22.270667 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -2.814 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: 7, replica: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -30.740167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.740167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.740167 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.001 local terms energy: -19.691805 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -31.873992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.873992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.873992 (E_RNA) where: Base-Base interactions energy: -7.726 where: short stacking energy: -7.726 Base-Backbone interact. energy: -0.004 local terms energy: -24.144420 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.827 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: 9, replica: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -33.724806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.724806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.724806 (E_RNA) where: Base-Base interactions energy: -15.424 where: short stacking energy: -15.424 Base-Backbone interact. energy: -0.000 local terms energy: -18.300836 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -1.493 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: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -28.506749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.506749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.506749 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.023 local terms energy: -19.887033 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -38.656210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.656210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.656210 (E_RNA) where: Base-Base interactions energy: -13.602 where: short stacking energy: -13.602 Base-Backbone interact. energy: -0.000 local terms energy: -25.053397 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -38.710036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.710036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.710036 (E_RNA) where: Base-Base interactions energy: -14.607 where: short stacking energy: -14.607 Base-Backbone interact. energy: -0.037 local terms energy: -24.065971 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -35.044134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.044134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.044134 (E_RNA) where: Base-Base interactions energy: -15.438 where: short stacking energy: -15.438 Base-Backbone interact. energy: -0.000 local terms energy: -19.605959 where: bonds (distance) C4'-P energy: -3.584 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -3.879 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: 4, replica: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -37.653789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.653789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.653789 (E_RNA) where: Base-Base interactions energy: -13.788 where: short stacking energy: -13.788 Base-Backbone interact. energy: -0.016 local terms energy: -23.849512 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.369 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: 5, replica: 2 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -33.690375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.690375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.690375 (E_RNA) where: Base-Base interactions energy: -9.414 where: short stacking energy: -9.414 Base-Backbone interact. energy: 0.172 local terms energy: -24.448013 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -4.566 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: 6, replica: 8 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -36.605371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.605371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.605371 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.023 local terms energy: -23.928811 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -3.752 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: 7, replica: 3 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -34.569590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.569590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.569590 (E_RNA) where: Base-Base interactions energy: -10.036 where: short stacking energy: -10.036 Base-Backbone interact. energy: 0.871 local terms energy: -25.404572 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.945 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: 8, replica: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -34.343555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.343555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.343555 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: -0.000 local terms energy: -21.776196 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.838 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: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -33.845828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845828 (E_RNA) where: Base-Base interactions energy: -13.588 where: short stacking energy: -13.588 Base-Backbone interact. energy: -0.000 local terms energy: -20.257699 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -2.389 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: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -30.727038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.727038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.727038 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.023 local terms energy: -21.503347 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -38.869898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.869898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.869898 (E_RNA) where: Base-Base interactions energy: -13.255 where: short stacking energy: -13.255 Base-Backbone interact. energy: -0.005 local terms energy: -25.609884 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -4.812 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: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -37.944961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.944961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.944961 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -12.813 Base-Backbone interact. energy: -0.072 local terms energy: -25.059916 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -33.860124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.860124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.860124 (E_RNA) where: Base-Base interactions energy: -13.728 where: short stacking energy: -13.728 Base-Backbone interact. energy: -0.047 local terms energy: -20.085512 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: 0.622 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: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -36.636101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.636101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.636101 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.777 Base-Backbone interact. energy: -0.000 local terms energy: -25.859233 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -35.442033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.442033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.442033 (E_RNA) where: Base-Base interactions energy: -13.633 where: short stacking energy: -13.633 Base-Backbone interact. energy: -0.085 local terms energy: -21.723971 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -37.101525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.101525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.101525 (E_RNA) where: Base-Base interactions energy: -14.449 where: short stacking energy: -14.449 Base-Backbone interact. energy: -0.000 local terms energy: -22.652081 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -5.706 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: 8 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -33.887804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.887804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.887804 (E_RNA) where: Base-Base interactions energy: -13.190 where: short stacking energy: -13.190 Base-Backbone interact. energy: -0.097 local terms energy: -20.601151 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -1.765 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -34.420455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.420455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.420455 (E_RNA) where: Base-Base interactions energy: -14.619 where: short stacking energy: -14.619 Base-Backbone interact. energy: -0.035 local terms energy: -19.766383 where: bonds (distance) C4'-P energy: -2.587 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -4.249 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: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -30.376353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.376353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.376353 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.002 local terms energy: -20.375037 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -0.654 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: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -26.672926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.672926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.672926 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.077 local terms energy: -18.359549 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.958 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: 0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -39.319268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.319268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.319268 (E_RNA) where: Base-Base interactions energy: -15.683 where: short stacking energy: -15.683 Base-Backbone interact. energy: -0.062 local terms energy: -23.574620 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -4.800 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: 2, replica: 6 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -39.303145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.303145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.303145 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.000 local terms energy: -25.443930 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -36.885962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.885962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.885962 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.074 local terms energy: -24.097525 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.386 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: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -36.541006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.541006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.541006 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.007 local terms energy: -26.528791 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -4.986 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: 5, replica: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -40.115499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.115499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.115499 (E_RNA) where: Base-Base interactions energy: -16.006 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.000 local terms energy: -24.109716 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -5.401 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: 6, replica: 9 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -31.679783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.679783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.679783 (E_RNA) where: Base-Base interactions energy: -10.027 where: short stacking energy: -10.027 Base-Backbone interact. energy: -0.077 local terms energy: -21.575399 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -3.774 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: 7, replica: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -32.167571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.167571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.167571 (E_RNA) where: Base-Base interactions energy: -9.654 where: short stacking energy: -9.654 Base-Backbone interact. energy: -0.002 local terms energy: -22.511569 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -1.705 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -28.575878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.575878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.575878 (E_RNA) where: Base-Base interactions energy: -11.320 where: short stacking energy: -11.320 Base-Backbone interact. energy: -0.003 local terms energy: -17.252899 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -30.829552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.829552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.829552 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.000 local terms energy: -20.938742 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -34.071103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.071103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.071103 (E_RNA) where: Base-Base interactions energy: -12.738 where: short stacking energy: -12.738 Base-Backbone interact. energy: -0.002 local terms energy: -21.331007 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -43.218965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.218965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.218965 (E_RNA) where: Base-Base interactions energy: -17.181 where: short stacking energy: -17.181 Base-Backbone interact. energy: -0.000 local terms energy: -26.038309 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -6.500 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: 2, replica: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -39.425199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.425199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.425199 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.040 local terms energy: -21.137896 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.908 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: 3, replica: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -38.252755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.252755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.252755 (E_RNA) where: Base-Base interactions energy: -14.108 where: short stacking energy: -14.108 Base-Backbone interact. energy: -0.164 local terms energy: -23.981227 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.181 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: 3 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -33.447563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.447563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.447563 (E_RNA) where: Base-Base interactions energy: -12.773 where: short stacking energy: -12.773 Base-Backbone interact. energy: -0.001 local terms energy: -20.673605 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -36.175842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.175842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.175842 (E_RNA) where: Base-Base interactions energy: -12.051 where: short stacking energy: -12.051 Base-Backbone interact. energy: -0.000 local terms energy: -24.124492 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: -4.649 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: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -30.704419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.704419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.704419 (E_RNA) where: Base-Base interactions energy: -12.311 where: short stacking energy: -12.311 Base-Backbone interact. energy: -0.001 local terms energy: -18.392507 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -33.785438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.785438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.785438 (E_RNA) where: Base-Base interactions energy: -13.167 where: short stacking energy: -13.167 Base-Backbone interact. energy: -0.012 local terms energy: -20.606788 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: 0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -29.561991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.561991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.561991 (E_RNA) where: Base-Base interactions energy: -11.098 where: short stacking energy: -11.098 Base-Backbone interact. energy: -0.048 local terms energy: -18.415661 where: bonds (distance) C4'-P energy: -2.785 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -4.991 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: 8 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -29.283852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.283852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.283852 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.056 local terms energy: -19.646025 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -3.877 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -3.016 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: 5 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -29.488483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.488483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.488483 (E_RNA) where: Base-Base interactions energy: -10.698 where: short stacking energy: -10.698 Base-Backbone interact. energy: -0.034 local terms energy: -18.756205 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -1.415 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -40.377357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.377357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.377357 (E_RNA) where: Base-Base interactions energy: -15.284 where: short stacking energy: -15.284 Base-Backbone interact. energy: -0.000 local terms energy: -25.093746 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -4.686 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: 494 Temperature: 0.950000 Total energy: -37.345741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.345741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.345741 (E_RNA) where: Base-Base interactions energy: -14.423 where: short stacking energy: -14.423 Base-Backbone interact. energy: -0.000 local terms energy: -22.922672 where: bonds (distance) C4'-P energy: -3.257 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -39.321720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.321720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.321720 (E_RNA) where: Base-Base interactions energy: -13.299 where: short stacking energy: -13.454 Base-Backbone interact. energy: -0.001 local terms energy: -26.021292 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -4.261 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: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -34.326709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.326709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.326709 (E_RNA) where: Base-Base interactions energy: -13.820 where: short stacking energy: -13.820 Base-Backbone interact. energy: -0.004 local terms energy: -20.502843 where: bonds (distance) C4'-P energy: -3.156 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.208 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: 5, replica: 10 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -32.637921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.637921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.637921 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.072 local terms energy: -19.635810 where: bonds (distance) C4'-P energy: -3.014 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -3.363 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: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -29.692634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.692634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.692634 (E_RNA) where: Base-Base interactions energy: -8.692 where: short stacking energy: -8.789 Base-Backbone interact. energy: -1.192 local terms energy: -19.808827 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -35.419617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.419617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.419617 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.001 local terms energy: -23.584491 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -4.118 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: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -25.934641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.934641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.934641 (E_RNA) where: Base-Base interactions energy: -7.660 where: short stacking energy: -7.660 Base-Backbone interact. energy: -0.062 local terms energy: -18.212779 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.372 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: 2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -27.781994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.781994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.781994 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.136 local terms energy: -19.586826 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -27.707071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.707071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.707071 (E_RNA) where: Base-Base interactions energy: -9.253 where: short stacking energy: -9.253 Base-Backbone interact. energy: -0.059 local terms energy: -18.395307 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -3.855 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) out arg RESULTS//1/5mpg_rna-78cebcea_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -41.885512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.885512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.885512 (E_RNA) where: Base-Base interactions energy: -14.407 where: short stacking energy: -14.407 Base-Backbone interact. energy: -0.000 local terms energy: -27.478915 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -36.711652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.711652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.711652 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.048 local terms energy: -22.202668 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -5.105 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: 3, replica: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -33.467818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.467818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.467818 (E_RNA) where: Base-Base interactions energy: -9.849 where: short stacking energy: -9.849 Base-Backbone interact. energy: -0.000 local terms energy: -23.618848 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -38.465873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.465873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.465873 (E_RNA) where: Base-Base interactions energy: -15.945 where: short stacking energy: -14.819 Base-Backbone interact. energy: -0.001 local terms energy: -22.520654 where: bonds (distance) C4'-P energy: -4.308 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -38.549942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.549942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.549942 (E_RNA) where: Base-Base interactions energy: -14.960 where: short stacking energy: -14.960 Base-Backbone interact. energy: -1.448 local terms energy: -22.141780 where: bonds (distance) C4'-P energy: -1.531 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -32.948863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.948863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.948863 (E_RNA) where: Base-Base interactions energy: -11.757 where: short stacking energy: -11.757 Base-Backbone interact. energy: -0.000 local terms energy: -21.191494 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -0.704 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: 7, replica: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -30.180325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.180325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.180325 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.124 local terms energy: -21.855966 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.751 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: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -29.765544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.765544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.765544 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.115 Base-Backbone interact. energy: -0.164 local terms energy: -22.485893 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -4.506 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: 9, replica: 9 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -32.776393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.776393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.776393 (E_RNA) where: Base-Base interactions energy: -11.978 where: short stacking energy: -11.978 Base-Backbone interact. energy: -0.015 local terms energy: -20.783225 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -29.487080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.487080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.487080 (E_RNA) where: Base-Base interactions energy: -6.530 where: short stacking energy: -6.530 Base-Backbone interact. energy: -0.055 local terms energy: -22.902525 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -4.764 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -34.294276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.294276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.294276 (E_RNA) where: Base-Base interactions energy: -10.443 where: short stacking energy: -10.443 Base-Backbone interact. energy: -0.440 local terms energy: -23.411390 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.405 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: 2, replica: 1 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -37.685416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.685416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.685416 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.690 local terms energy: -23.684046 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.757 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: 3, replica: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -37.255437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.255437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.255437 (E_RNA) where: Base-Base interactions energy: -13.269 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.000 local terms energy: -23.986751 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -3.844 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: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -35.461916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.461916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.461916 (E_RNA) where: Base-Base interactions energy: -14.493 where: short stacking energy: -14.493 Base-Backbone interact. energy: -0.704 local terms energy: -20.264612 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -4.944 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -4.658 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: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -33.909999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.909999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.909999 (E_RNA) where: Base-Base interactions energy: -10.602 where: short stacking energy: -10.602 Base-Backbone interact. energy: -0.000 local terms energy: -23.308449 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -5.555 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: 6 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -33.174475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.174475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.174475 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.005 local terms energy: -26.101824 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -32.235794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.235794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.235794 (E_RNA) where: Base-Base interactions energy: -10.430 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.003 local terms energy: -21.802622 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -31.971359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.971359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.971359 (E_RNA) where: Base-Base interactions energy: -9.831 where: short stacking energy: -9.831 Base-Backbone interact. energy: -0.007 local terms energy: -22.133286 where: bonds (distance) C4'-P energy: -2.670 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -28.866574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.866574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.866574 (E_RNA) where: Base-Base interactions energy: -8.762 where: short stacking energy: -8.762 Base-Backbone interact. energy: -0.007 local terms energy: -20.097435 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: 0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -28.274241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.274241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.274241 (E_RNA) where: Base-Base interactions energy: -8.705 where: short stacking energy: -8.705 Base-Backbone interact. energy: -0.085 local terms energy: -19.484120 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -1.049 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -36.887349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.887349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.887349 (E_RNA) where: Base-Base interactions energy: -13.991 where: short stacking energy: -13.991 Base-Backbone interact. energy: -0.019 local terms energy: -22.877285 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.129 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: 2, replica: 10 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -45.079003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.079003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.079003 (E_RNA) where: Base-Base interactions energy: -18.295 where: short stacking energy: -18.295 Base-Backbone interact. energy: -0.000 local terms energy: -26.783692 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -7.020 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: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -37.073523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.073523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.073523 (E_RNA) where: Base-Base interactions energy: -13.389 where: short stacking energy: -13.389 Base-Backbone interact. energy: -0.009 local terms energy: -23.676220 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -36.111349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.111349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.111349 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.048 local terms energy: -23.979495 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.127 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: 7 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -30.788738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.788738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.788738 (E_RNA) where: Base-Base interactions energy: -6.738 where: short stacking energy: -6.738 Base-Backbone interact. energy: -0.779 local terms energy: -23.272717 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -32.822211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.822211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.822211 (E_RNA) where: Base-Base interactions energy: -13.985 where: short stacking energy: -13.985 Base-Backbone interact. energy: -0.094 local terms energy: -18.742564 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -1.846 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -31.647199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.647199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.647199 (E_RNA) where: Base-Base interactions energy: -9.164 where: short stacking energy: -9.164 Base-Backbone interact. energy: -0.014 local terms energy: -22.469491 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.312 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: 8 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -31.592639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.592639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.592639 (E_RNA) where: Base-Base interactions energy: -14.003 where: short stacking energy: -14.003 Base-Backbone interact. energy: -0.031 local terms energy: -17.557823 where: bonds (distance) C4'-P energy: -0.740 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -32.590691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.590691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.590691 (E_RNA) where: Base-Base interactions energy: -10.059 where: short stacking energy: -10.059 Base-Backbone interact. energy: -0.000 local terms energy: -22.531925 where: bonds (distance) C4'-P energy: -3.352 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -28.610242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.610242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.610242 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.021 local terms energy: -14.580738 where: bonds (distance) C4'-P energy: -1.477 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -0.980 flat angles P-C4'-P energy: -3.766 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -43.665944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.665944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.665944 (E_RNA) where: Base-Base interactions energy: -16.676 where: short stacking energy: -16.676 Base-Backbone interact. energy: -0.010 local terms energy: -26.980528 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -3.298 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: 2, replica: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -42.126123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.126123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.126123 (E_RNA) where: Base-Base interactions energy: -16.590 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.036 local terms energy: -25.500307 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.378 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: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -39.466691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.466691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.466691 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.000 local terms energy: -26.210279 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -37.777409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.777409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.777409 (E_RNA) where: Base-Base interactions energy: -13.060 where: short stacking energy: -13.060 Base-Backbone interact. energy: -0.059 local terms energy: -24.658791 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -5.203 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: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -32.579619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.579619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.579619 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.057 local terms energy: -24.184287 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -31.696066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.696066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.696066 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.033 local terms energy: -21.629304 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: 0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -33.771043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.771043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.771043 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.000 local terms energy: -23.673438 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -31.246706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.246706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.246706 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: 0.837 local terms energy: -21.847328 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -30.289806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.289806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.289806 (E_RNA) where: Base-Base interactions energy: -11.021 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.002 local terms energy: -19.267413 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -4.002 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -4.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -27.120858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.120858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.120858 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: -0.021 local terms energy: -19.519891 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.343 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -38.163936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.163936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.163936 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.000 local terms energy: -24.662432 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -37.383293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.383293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.383293 (E_RNA) where: Base-Base interactions energy: -15.169 where: short stacking energy: -15.169 Base-Backbone interact. energy: -0.000 local terms energy: -22.214406 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.617 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -37.544290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.544290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.544290 (E_RNA) where: Base-Base interactions energy: -15.964 where: short stacking energy: -15.964 Base-Backbone interact. energy: -0.000 local terms energy: -21.579882 where: bonds (distance) C4'-P energy: -2.003 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.937 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: 4, replica: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -38.070663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.070663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.070663 (E_RNA) where: Base-Base interactions energy: -12.851 where: short stacking energy: -12.851 Base-Backbone interact. energy: -0.001 local terms energy: -25.218461 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -33.973071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.973071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.973071 (E_RNA) where: Base-Base interactions energy: -9.426 where: short stacking energy: -9.426 Base-Backbone interact. energy: -0.000 local terms energy: -24.547102 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -33.334771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.334771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.334771 (E_RNA) where: Base-Base interactions energy: -12.510 where: short stacking energy: -12.510 Base-Backbone interact. energy: -0.000 local terms energy: -20.824696 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -28.284876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.284876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.284876 (E_RNA) where: Base-Base interactions energy: -4.782 where: short stacking energy: -4.782 Base-Backbone interact. energy: -0.000 local terms energy: -23.502697 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -34.664727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.664727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.664727 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.000 local terms energy: -23.326205 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -30.774710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.774710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.774710 (E_RNA) where: Base-Base interactions energy: -10.943 where: short stacking energy: -10.943 Base-Backbone interact. energy: -0.010 local terms energy: -19.822040 where: bonds (distance) C4'-P energy: -3.208 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -4.298 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: 499 Temperature: 1.350000 Total energy: -35.032656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032656 (E_RNA) where: Base-Base interactions energy: -13.025 where: short stacking energy: -13.025 Base-Backbone interact. energy: -0.005 local terms energy: -22.002279 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -4.910 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -39.650592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.650592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.650592 (E_RNA) where: Base-Base interactions energy: -13.340 where: short stacking energy: -13.340 Base-Backbone interact. energy: -0.158 local terms energy: -26.152764 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -5.230 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: 2, replica: 10 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -41.925543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.925543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.925543 (E_RNA) where: Base-Base interactions energy: -17.016 where: short stacking energy: -17.016 Base-Backbone interact. energy: -0.000 local terms energy: -24.909652 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -39.992134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.992134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.992134 (E_RNA) where: Base-Base interactions energy: -14.676 where: short stacking energy: -14.676 Base-Backbone interact. energy: -0.071 local terms energy: -25.245305 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -38.385666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385666 (E_RNA) where: Base-Base interactions energy: -13.757 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.200 local terms energy: -24.429203 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -36.478852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.478852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.478852 (E_RNA) where: Base-Base interactions energy: -13.158 where: short stacking energy: -13.158 Base-Backbone interact. energy: -0.002 local terms energy: -23.319143 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -5.004 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: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -36.063757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.063757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.063757 (E_RNA) where: Base-Base interactions energy: -11.812 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.000 local terms energy: -24.252028 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -33.267020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.267020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.267020 (E_RNA) where: Base-Base interactions energy: -7.752 where: short stacking energy: -7.752 Base-Backbone interact. energy: -0.000 local terms energy: -25.514811 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -30.578835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.578835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.578835 (E_RNA) where: Base-Base interactions energy: -9.548 where: short stacking energy: -9.548 Base-Backbone interact. energy: -0.006 local terms energy: -21.025068 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -1.511 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.874 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: 6 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -26.934130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.934130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.934130 (E_RNA) where: Base-Base interactions energy: -9.522 where: short stacking energy: -9.522 Base-Backbone interact. energy: -0.013 local terms energy: -17.398934 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -2.462 flat angles P-C4'-P energy: -4.211 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: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -28.632885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.632885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.632885 (E_RNA) where: Base-Base interactions energy: -12.918 where: short stacking energy: -12.918 Base-Backbone interact. energy: -0.003 local terms energy: -15.712560 where: bonds (distance) C4'-P energy: -2.732 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -1.635 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -42.981338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.981338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.981338 (E_RNA) where: Base-Base interactions energy: -17.769 where: short stacking energy: -17.769 Base-Backbone interact. energy: -0.001 local terms energy: -25.211878 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -4.263 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: 2, replica: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -37.956806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.956806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.956806 (E_RNA) where: Base-Base interactions energy: -13.524 where: short stacking energy: -13.524 Base-Backbone interact. energy: -0.000 local terms energy: -24.432359 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -2.623 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: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -36.660953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.660953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.660953 (E_RNA) where: Base-Base interactions energy: -11.976 where: short stacking energy: -11.976 Base-Backbone interact. energy: -0.001 local terms energy: -24.683734 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -37.953506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.953506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.953506 (E_RNA) where: Base-Base interactions energy: -13.895 where: short stacking energy: -13.895 Base-Backbone interact. energy: -0.101 local terms energy: -23.957221 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -3.894 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: 5, replica: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -38.577081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.577081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.577081 (E_RNA) where: Base-Base interactions energy: -12.309 where: short stacking energy: -12.987 Base-Backbone interact. energy: -0.001 local terms energy: -26.267206 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -31.867622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.867622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.867622 (E_RNA) where: Base-Base interactions energy: -9.835 where: short stacking energy: -9.835 Base-Backbone interact. energy: -0.001 local terms energy: -22.031593 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.575 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -29.527432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.527432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.527432 (E_RNA) where: Base-Base interactions energy: -9.170 where: short stacking energy: -9.170 Base-Backbone interact. energy: -0.004 local terms energy: -20.353963 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.595 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: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -33.426771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.426771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.426771 (E_RNA) where: Base-Base interactions energy: -13.918 where: short stacking energy: -13.918 Base-Backbone interact. energy: -0.000 local terms energy: -19.508554 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -1.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -27.582993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.582993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.582993 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.035 local terms energy: -20.240986 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -2.542 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -29.047552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.047552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.047552 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.054 local terms energy: -20.426330 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 8843730 moves confirmed later: 11589956 all moves confirmed: 20433686 percent of confirmed moves: 2.554211 current total energy: -27.083907 recalc. total energy: -27.083907 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 8935813 moves confirmed later: 11726823 all moves confirmed: 20662636 percent of confirmed moves: 2.582829 current total energy: -27.227996 recalc. total energy: -27.227996 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 8843718 moves confirmed later: 11587195 all moves confirmed: 20430913 percent of confirmed moves: 2.553864 current total energy: -17.566478 recalc. total energy: -17.566478 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 8865074 moves confirmed later: 11626118 all moves confirmed: 20491192 percent of confirmed moves: 2.561399 current total energy: -8.748604 recalc. total energy: -8.748604 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 8887533 moves confirmed later: 11655595 all moves confirmed: 20543128 percent of confirmed moves: 2.567891 current total energy: -8.546341 recalc. total energy: -8.546341 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 8751432 moves confirmed later: 11433803 all moves confirmed: 20185235 percent of confirmed moves: 2.523154 current total energy: -21.578868 recalc. total energy: -21.578868 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 8990629 moves confirmed later: 11815977 all moves confirmed: 20806606 percent of confirmed moves: 2.600826 current total energy: -6.042714 recalc. total energy: -6.042714 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 8911519 moves confirmed later: 11686897 all moves confirmed: 20598416 percent of confirmed moves: 2.574802 current total energy: -13.273975 recalc. total energy: -13.273975 replica 2 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 8839354 moves confirmed later: 11578043 all moves confirmed: 20417397 percent of confirmed moves: 2.552175 current total energy: -14.834085 recalc. total energy: -14.834085 replica 5 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 8903862 moves confirmed later: 11675500 all moves confirmed: 20579362 percent of confirmed moves: 2.572420 current total energy: -5.445871 recalc. total energy: -5.445871 Time of doing 8000000 iterations: 278.349 seconds